N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine

C15H26N2O — CID 54809763

IUPACN-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCOc1ccc(NCCNC(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-4-5-12-18-15-8-6-14(7-9-15)17-11-10-16-13(2)3/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyHINPPSCLXVYALS-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.28
Rot. Bonds9

About N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine

N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 54809763) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID54809763
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCCCOc1ccc(NCCNC(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-4-5-12-18-15-8-6-14(7-9-15)17-11-10-16-13(2)3/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyHINPPSCLXVYALS-UHFFFAOYSA-N
XLogP3.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine 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

4-butoxy-N-butylaniline
CID 15112153
N-(4-heptoxyphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807195
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N'-butan-2-yl-N-[4-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54808517
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
CID 176845634
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
N-(4-butoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808319

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 54809763) is N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine is CCCCOc1ccc(NCCNC(C)C)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HINPPSCLXVYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-12-18-15-8-6-14(7-9-15)17-11-10-16-13(2)3/h6-9,13,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 54809763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).