N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride

C15H26ClNO — CID 17291090

IUPACN-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
SMILESCCCCCCNCc1ccc(OCC)cc1.Cl
InChIInChI=1S/C15H25NO.ClH/c1-3-5-6-7-12-16-13-14-8-10-15(11-9-14)17-4-2;/h8-11,16H,3-7,12-13H2,1-2H3;1H
InChIKeyQTWXNBDJZFLJNV-UHFFFAOYSA-N
MW271.83 g/mol
LogP4.18
Rot. Bonds9

About N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride

N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride (PubChem CID 17291090) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
PubChem CID17291090
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
SMILESCCCCCCNCc1ccc(OCC)cc1.Cl
InChIInChI=1S/C15H25NO.ClH/c1-3-5-6-7-12-16-13-14-8-10-15(11-9-14)17-4-2;/h8-11,16H,3-7,12-13H2,1-2H3;1H
InChIKeyQTWXNBDJZFLJNV-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-ethoxyphenyl)methyl]hexan-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

N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 115733079
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride (CID 17291090) is N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride is CCCCCCNCc1ccc(OCC)cc1.Cl.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride?
The InChIKey is QTWXNBDJZFLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-3-5-6-7-12-16-13-14-8-10-15(11-9-14)17-4-2;/h8-11,16H,3-7,12-13H2,1-2H3;1H.
What are the key properties of N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride?
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride is sourced from PubChem (CID 17291090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).