2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine

C24H36N2O — CID 10339051

IUPAC2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine
SMILESCCOc1ccccc1CNC(CNCCCc1ccccc1)CC(C)C
InChIInChI=1S/C24H36N2O/c1-4-27-24-15-9-8-14-22(24)18-26-23(17-20(2)3)19-25-16-10-13-21-11-6-5-7-12-21/h5-9,11-12,14-15,20,23,25-26H,4,10,13,16-19H2,1-3H3
InChIKeyAZEFDJWTGQZRIY-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.81
Rot. Bonds13

About 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine

2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine (PubChem CID 10339051) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine
PubChem CID10339051
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine
SMILESCCOc1ccccc1CNC(CNCCCc1ccccc1)CC(C)C
InChIInChI=1S/C24H36N2O/c1-4-27-24-15-9-8-14-22(24)18-26-23(17-20(2)3)19-25-16-10-13-21-11-6-5-7-12-21/h5-9,11-12,14-15,20,23,25-26H,4,10,13,16-19H2,1-3H3
InChIKeyAZEFDJWTGQZRIY-UHFFFAOYSA-N
XLogP4.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-N-[3-(4-fluorophenyl)propyl]-3-thiophen-3-ylpropane-1,2-diamine;2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine;4-methyl-2-N-[(E)-3-phenylprop-2-enyl]-1-N-(3-phenylpropyl)pentane-1,2-diamine;4-methyl-1-N-(3-phenylpropyl)-2-N-[(4-propan-2-ylphenyl)methyl]pentane-1,2-diamine
CID 158585363
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
CID 59084840
2-[(2-ethoxyphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 43674958
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine (CID 10339051) is 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine is CCOc1ccccc1CNC(CNCCCc1ccccc1)CC(C)C.
What is the InChIKey of 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine?
The InChIKey is AZEFDJWTGQZRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-4-27-24-15-9-8-14-22(24)18-26-23(17-20(2)3)19-25-16-10-13-21-11-6-5-7-12-21/h5-9,11-12,14-15,20,23,25-26H,4,10,13,16-19H2,1-3H3.
What are the key properties of 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine?
2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine has a molecular weight of 368.57 g/mol, XLogP of 4.81, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 10339051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).