2-phenyl-N-(2-undecoxyethyl)hexan-1-amine

C25H45NO — CID 22091448

IUPAC2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
SMILESCCCCCCCCCCCOCCNCC(CCCC)c1ccccc1
InChIInChI=1S/C25H45NO/c1-3-5-7-8-9-10-11-12-16-21-27-22-20-26-23-25(17-6-4-2)24-18-14-13-15-19-24/h13-15,18-19,25-26H,3-12,16-17,20-23H2,1-2H3
InChIKeyJDRRUZBTLJAMQL-UHFFFAOYSA-N
MW375.64 g/mol
LogP7.10
Rot. Bonds19

About 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine

2-phenyl-N-(2-undecoxyethyl)hexan-1-amine (PubChem CID 22091448) has the molecular formula C25H45NO and a molecular weight of 375.64 g/mol. Its IUPAC name is 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
PubChem CID22091448
Molecular FormulaC25H45NO
Molecular Weight375.64 g/mol
Exact Mass375.35
IUPAC Name2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
SMILESCCCCCCCCCCCOCCNCC(CCCC)c1ccccc1
InChIInChI=1S/C25H45NO/c1-3-5-7-8-9-10-11-12-16-21-27-22-20-26-23-25(17-6-4-2)24-18-14-13-15-19-24/h13-15,18-19,25-26H,3-12,16-17,20-23H2,1-2H3
InChIKeyJDRRUZBTLJAMQL-UHFFFAOYSA-N
XLogP7.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.64
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-(2-undecoxyethyl)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

2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(2-phenylnonylamino)ethanol
CID 142077190
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
[(2S)-2-phenylhexyl]hydrazine
CID 124537728
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine?
The IUPAC name of 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine (CID 22091448) is 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine?
The canonical SMILES for 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine is CCCCCCCCCCCOCCNCC(CCCC)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine?
The InChIKey is JDRRUZBTLJAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO/c1-3-5-7-8-9-10-11-12-16-21-27-22-20-26-23-25(17-6-4-2)24-18-14-13-15-19-24/h13-15,18-19,25-26H,3-12,16-17,20-23H2,1-2H3.
What are the key properties of 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine?
2-phenyl-N-(2-undecoxyethyl)hexan-1-amine has a molecular weight of 375.64 g/mol, XLogP of 7.10, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-undecoxyethyl)hexan-1-amine is sourced from PubChem (CID 22091448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).