N,N-dimethyl-1-phenyltricosan-2-amine

C31H57N — CID 18949477

IUPACN,N-dimethyl-1-phenyltricosan-2-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C31H57N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(32(2)3)29-30-26-23-22-24-27-30/h22-24,26-27,31H,4-21,25,28-29H2,1-3H3
InChIKeySSTOPPIUGAMNRX-UHFFFAOYSA-N
MW443.80 g/mol
LogP9.98
Rot. Bonds23

About N,N-dimethyl-1-phenyltricosan-2-amine

N,N-dimethyl-1-phenyltricosan-2-amine (PubChem CID 18949477) has the molecular formula C31H57N and a molecular weight of 443.80 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyltricosan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyltricosan-2-amine
PubChem CID18949477
Molecular FormulaC31H57N
Molecular Weight443.80 g/mol
Exact Mass443.45
IUPAC NameN,N-dimethyl-1-phenyltricosan-2-amine
SMILESCCCCCCCCCCCCCCCCCCCCCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C31H57N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(32(2)3)29-30-26-23-22-24-27-30/h22-24,26-27,31H,4-21,25,28-29H2,1-3H3
InChIKeySSTOPPIUGAMNRX-UHFFFAOYSA-N
XLogP9.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.80
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-phenyltricosan-2-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

boric acid;tris(N,N-dimethyl-1-phenyltridecan-2-amine)
CID 173306733
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-benzyltetradecylbenzene
CID 22920205
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
ethane;2-methylheptylbenzene
CID 142204161
2-bromotridecylbenzene
CID 65427778
dichloro(1-phenylpentadecan-2-yl)silane
CID 173437721
3-benzylpentadecan-1-ol
CID 174933241
dichloro(1-phenyltridecan-2-yl)silane
CID 173437797
3-benzylheptadecan-1-ol
CID 70425860

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyltricosan-2-amine?
The IUPAC name of N,N-dimethyl-1-phenyltricosan-2-amine (CID 18949477) is N,N-dimethyl-1-phenyltricosan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyltricosan-2-amine?
The canonical SMILES for N,N-dimethyl-1-phenyltricosan-2-amine is CCCCCCCCCCCCCCCCCCCCCC(Cc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenyltricosan-2-amine?
The InChIKey is SSTOPPIUGAMNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(32(2)3)29-30-26-23-22-24-27-30/h22-24,26-27,31H,4-21,25,28-29H2,1-3H3.
What are the key properties of N,N-dimethyl-1-phenyltricosan-2-amine?
N,N-dimethyl-1-phenyltricosan-2-amine has a molecular weight of 443.80 g/mol, XLogP of 9.98, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyltricosan-2-amine is sourced from PubChem (CID 18949477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).