N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine

C24H35NO2 — CID 121299623

IUPACN-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
SMILESCCCCOc1cc(CCNCCc2ccccc2)cc(OCCCC)c1
InChIInChI=1S/C24H35NO2/c1-3-5-16-26-23-18-22(19-24(20-23)27-17-6-4-2)13-15-25-14-12-21-10-8-7-9-11-21/h7-11,18-20,25H,3-6,12-17H2,1-2H3
InChIKeyBSQNSMADYUMRDU-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.42
Rot. Bonds14

About N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine

N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine (PubChem CID 121299623) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
PubChem CID121299623
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
SMILESCCCCOc1cc(CCNCCc2ccccc2)cc(OCCCC)c1
InChIInChI=1S/C24H35NO2/c1-3-5-16-26-23-18-22(19-24(20-23)27-17-6-4-2)13-15-25-14-12-21-10-8-7-9-11-21/h7-11,18-20,25H,3-6,12-17H2,1-2H3
InChIKeyBSQNSMADYUMRDU-UHFFFAOYSA-N
XLogP5.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine 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-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807388
N-(2-phenylethyl)undecan-1-amine
CID 141108004
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone
CID 122643065
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
CID 82097635
butyl 2-(2-phenylethylamino)acetate
CID 60679601
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
ethane;molecular hydrogen;N-[2-(4-pentoxyphenyl)ethyl]propan-1-amine
CID 142390477
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine?
The IUPAC name of N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine (CID 121299623) is N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine.
What is the SMILES notation for N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine?
The canonical SMILES for N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine is CCCCOc1cc(CCNCCc2ccccc2)cc(OCCCC)c1.
What is the InChIKey of N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine?
The InChIKey is BSQNSMADYUMRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-3-5-16-26-23-18-22(19-24(20-23)27-17-6-4-2)13-15-25-14-12-21-10-8-7-9-11-21/h7-11,18-20,25H,3-6,12-17H2,1-2H3.
What are the key properties of N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine?
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine has a molecular weight of 369.55 g/mol, XLogP of 5.42, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine is sourced from PubChem (CID 121299623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).