3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine

C16H28N2O — CID 61420033

IUPAC3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O/c1-5-14(6-2)16(11-17)18(3)12-13-8-7-9-15(10-13)19-4/h7-10,14,16H,5-6,11-12,17H2,1-4H3
InChIKeyKMLBFRVEHYQEQX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.89
Rot. Bonds8

About 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine

3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine (PubChem CID 61420033) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
PubChem CID61420033
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H28N2O/c1-5-14(6-2)16(11-17)18(3)12-13-8-7-9-15(10-13)19-4/h7-10,14,16H,5-6,11-12,17H2,1-4H3
InChIKeyKMLBFRVEHYQEQX-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
CID 61420511
N'-hydroxy-2-[(3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 76915706
3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43102172
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine (CID 61420033) is 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine is CCC(CC)C(CN)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
The InChIKey is KMLBFRVEHYQEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-14(6-2)16(11-17)18(3)12-13-8-7-9-15(10-13)19-4/h7-10,14,16H,5-6,11-12,17H2,1-4H3.
What are the key properties of 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine?
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine is sourced from PubChem (CID 61420033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).