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

C17H30N2O — CID 61420226

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-5-10-17(14-18,11-6-2)19(3)13-15-8-7-9-16(12-15)20-4/h7-9,12H,5-6,10-11,13-14,18H2,1-4H3
InChIKeyPHZKCNPKKBBHCW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.42
Rot. Bonds9

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

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine (PubChem CID 61420226) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
PubChem CID61420226
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H30N2O/c1-5-10-17(14-18,11-6-2)19(3)13-15-8-7-9-16(12-15)20-4/h7-9,12H,5-6,10-11,13-14,18H2,1-4H3
InChIKeyPHZKCNPKKBBHCW-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
2-[(3-methoxyphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129500
N'-[(3-methoxyphenyl)methyl]-N'-methylbut-2-ene-1,4-diamine
CID 77110782
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine (CID 61420226) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The InChIKey is PHZKCNPKKBBHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-10-17(14-18,11-6-2)19(3)13-15-8-7-9-16(12-15)20-4/h7-9,12H,5-6,10-11,13-14,18H2,1-4H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine is sourced from PubChem (CID 61420226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).