N-[(2-pentoxyphenyl)methyl]octan-1-amine

C20H35NO — CID 54807880

IUPACN-[(2-pentoxyphenyl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccccc1OCCCCC
InChIInChI=1S/C20H35NO/c1-3-5-7-8-9-12-16-21-18-19-14-10-11-15-20(19)22-17-13-6-4-2/h10-11,14-15,21H,3-9,12-13,16-18H2,1-2H3
InChIKeyWJVBRLFPUGXRKX-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.71
Rot. Bonds14

About N-[(2-pentoxyphenyl)methyl]octan-1-amine

N-[(2-pentoxyphenyl)methyl]octan-1-amine (PubChem CID 54807880) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is N-[(2-pentoxyphenyl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(2-pentoxyphenyl)methyl]octan-1-amine
PubChem CID54807880
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC NameN-[(2-pentoxyphenyl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccccc1OCCCCC
InChIInChI=1S/C20H35NO/c1-3-5-7-8-9-12-16-21-18-19-14-10-11-15-20(19)22-17-13-6-4-2/h10-11,14-15,21H,3-9,12-13,16-18H2,1-2H3
InChIKeyWJVBRLFPUGXRKX-UHFFFAOYSA-N
XLogP5.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.71
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

N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
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-pentoxyphenyl)methyl]octan-1-amine?
The IUPAC name of N-[(2-pentoxyphenyl)methyl]octan-1-amine (CID 54807880) is N-[(2-pentoxyphenyl)methyl]octan-1-amine.
What is the SMILES notation for N-[(2-pentoxyphenyl)methyl]octan-1-amine?
The canonical SMILES for N-[(2-pentoxyphenyl)methyl]octan-1-amine is CCCCCCCCNCc1ccccc1OCCCCC.
What is the InChIKey of N-[(2-pentoxyphenyl)methyl]octan-1-amine?
The InChIKey is WJVBRLFPUGXRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-3-5-7-8-9-12-16-21-18-19-14-10-11-15-20(19)22-17-13-6-4-2/h10-11,14-15,21H,3-9,12-13,16-18H2,1-2H3.
What are the key properties of N-[(2-pentoxyphenyl)methyl]octan-1-amine?
N-[(2-pentoxyphenyl)methyl]octan-1-amine has a molecular weight of 305.51 g/mol, XLogP of 5.71, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pentoxyphenyl)methyl]octan-1-amine is sourced from PubChem (CID 54807880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).