N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C24H35NO2 — CID 54848590

IUPACN-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCCCCCCOc1cccc(CNCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C24H35NO2/c1-4-5-6-7-8-16-26-24-11-9-10-22(17-24)19-25-18-21-12-14-23(15-13-21)27-20(2)3/h9-15,17,20,25H,4-8,16,18-19H2,1-3H3
InChIKeyNUOHGJSXTZHDLV-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.11
Rot. Bonds13

About N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54848590) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54848590
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC NameN-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCCCCCCOc1cccc(CNCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C24H35NO2/c1-4-5-6-7-8-16-26-24-11-9-10-22(17-24)19-25-18-21-12-14-23(15-13-21)27-20(2)3/h9-15,17,20,25H,4-8,16,18-19H2,1-3H3
InChIKeyNUOHGJSXTZHDLV-UHFFFAOYSA-N
XLogP6.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine 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'-(3-heptoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808048
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
CID 54803922
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848693
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329

Frequently Asked Questions

What is the IUPAC name of N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 54848590) is N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is CCCCCCCOc1cccc(CNCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is NUOHGJSXTZHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-4-5-6-7-8-16-26-24-11-9-10-22(17-24)19-25-18-21-12-14-23(15-13-21)27-20(2)3/h9-15,17,20,25H,4-8,16,18-19H2,1-3H3.
What are the key properties of N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 369.55 g/mol, XLogP of 6.11, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54848590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).