N-[(2-hexoxyphenyl)methyl]hexan-1-amine

C19H33NO — CID 54807624

IUPACN-[(2-hexoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccccc1OCCCCCC
InChIInChI=1S/C19H33NO/c1-3-5-7-11-15-20-17-18-13-9-10-14-19(18)21-16-12-8-6-4-2/h9-10,13-14,20H,3-8,11-12,15-17H2,1-2H3
InChIKeyXMLDYAZFDUQWON-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.32
Rot. Bonds13

About N-[(2-hexoxyphenyl)methyl]hexan-1-amine

N-[(2-hexoxyphenyl)methyl]hexan-1-amine (PubChem CID 54807624) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(2-hexoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2-hexoxyphenyl)methyl]hexan-1-amine
PubChem CID54807624
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[(2-hexoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccccc1OCCCCCC
InChIInChI=1S/C19H33NO/c1-3-5-7-11-15-20-17-18-13-9-10-14-19(18)21-16-12-8-6-4-2/h9-10,13-14,20H,3-8,11-12,15-17H2,1-2H3
InChIKeyXMLDYAZFDUQWON-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-hexoxyphenyl)methyl]hexan-1-amine 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-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(2-hexoxyphenyl)methyl]hexan-1-amine (CID 54807624) is N-[(2-hexoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(2-hexoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(2-hexoxyphenyl)methyl]hexan-1-amine is CCCCCCNCc1ccccc1OCCCCCC.
What is the InChIKey of N-[(2-hexoxyphenyl)methyl]hexan-1-amine?
The InChIKey is XMLDYAZFDUQWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-7-11-15-20-17-18-13-9-10-14-19(18)21-16-12-8-6-4-2/h9-10,13-14,20H,3-8,11-12,15-17H2,1-2H3.
What are the key properties of N-[(2-hexoxyphenyl)methyl]hexan-1-amine?
N-[(2-hexoxyphenyl)methyl]hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxyphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 54807624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).