N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride

C26H34ClNO — CID 17054858

IUPACN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
SMILESCCCCCCCNCc1c(OCc2ccc(C)cc2)ccc2ccccc12.Cl
InChIInChI=1S/C26H33NO.ClH/c1-3-4-5-6-9-18-27-19-25-24-11-8-7-10-23(24)16-17-26(25)28-20-22-14-12-21(2)13-15-22;/h7-8,10-17,27H,3-6,9,18-20H2,1-2H3;1H
InChIKeyZCKRUWVQPMDNBF-UHFFFAOYSA-N
MW412.02 g/mol
LogP7.21
Rot. Bonds11

About N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride

N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride (PubChem CID 17054858) has the molecular formula C26H34ClNO and a molecular weight of 412.02 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
PubChem CID17054858
Molecular FormulaC26H34ClNO
Molecular Weight412.02 g/mol
Exact Mass411.23
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
SMILESCCCCCCCNCc1c(OCc2ccc(C)cc2)ccc2ccccc12.Cl
InChIInChI=1S/C26H33NO.ClH/c1-3-4-5-6-9-18-27-19-25-24-11-8-7-10-23(24)16-17-26(25)28-20-22-14-12-21(2)13-15-22;/h7-8,10-17,27H,3-6,9,18-20H2,1-2H3;1H
InChIKeyZCKRUWVQPMDNBF-UHFFFAOYSA-N
XLogP7.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.02
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine
CID 17054847
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054851
2-[3-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214333
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride (CID 17054858) is N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride is CCCCCCCNCc1c(OCc2ccc(C)cc2)ccc2ccccc12.Cl.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
The InChIKey is ZCKRUWVQPMDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO.ClH/c1-3-4-5-6-9-18-27-19-25-24-11-8-7-10-23(24)16-17-26(25)28-20-22-14-12-21(2)13-15-22;/h7-8,10-17,27H,3-6,9,18-20H2,1-2H3;1H.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride has a molecular weight of 412.02 g/mol, XLogP of 7.21, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride is sourced from PubChem (CID 17054858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).