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

C25H30Cl3NO — CID 17291175

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
SMILESCCCCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.Cl
InChIInChI=1S/C25H29Cl2NO.ClH/c1-2-3-4-5-8-15-28-17-23-22-10-7-6-9-19(22)12-14-25(23)29-18-20-11-13-21(26)16-24(20)27;/h6-7,9-14,16,28H,2-5,8,15,17-18H2,1H3;1H
InChIKeyBEYUSYDALKCMLG-UHFFFAOYSA-N
MW466.88 g/mol
LogP8.21
Rot. Bonds11

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

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride (PubChem CID 17291175) has the molecular formula C25H30Cl3NO and a molecular weight of 466.88 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
PubChem CID17291175
Molecular FormulaC25H30Cl3NO
Molecular Weight466.88 g/mol
Exact Mass465.14
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
SMILESCCCCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.Cl
InChIInChI=1S/C25H29Cl2NO.ClH/c1-2-3-4-5-8-15-28-17-23-22-10-7-6-9-19(22)12-14-25(23)29-18-20-11-13-21(26)16-24(20)27;/h6-7,9-14,16,28H,2-5,8,15,17-18H2,1H3;1H
InChIKeyBEYUSYDALKCMLG-UHFFFAOYSA-N
XLogP8.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride (CID 17291175) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride is CCCCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
The InChIKey is BEYUSYDALKCMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2NO.ClH/c1-2-3-4-5-8-15-28-17-23-22-10-7-6-9-19(22)12-14-25(23)29-18-20-11-13-21(26)16-24(20)27;/h6-7,9-14,16,28H,2-5,8,15,17-18H2,1H3;1H.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride?
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride has a molecular weight of 466.88 g/mol, XLogP of 8.21, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride is sourced from PubChem (CID 17291175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).