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

C16H28N2O — CID 91088877

IUPAC1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
SMILESCCCCC(N)CN(CC)Cc1ccccc1OC
InChIInChI=1S/C16H28N2O/c1-4-6-10-15(17)13-18(5-2)12-14-9-7-8-11-16(14)19-3/h7-9,11,15H,4-6,10,12-13,17H2,1-3H3
InChIKeyCGGLUWLMRFCTHD-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.03
Rot. Bonds9

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

1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine (PubChem CID 91088877) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
PubChem CID91088877
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
SMILESCCCCC(N)CN(CC)Cc1ccccc1OC
InChIInChI=1S/C16H28N2O/c1-4-6-10-15(17)13-18(5-2)12-14-9-7-8-11-16(14)19-3/h7-9,11,15H,4-6,10,12-13,17H2,1-3H3
InChIKeyCGGLUWLMRFCTHD-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
CID 79087707
1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 83960655
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
CID 115666744
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
1-N-ethyl-1-N-propylhexane-1,2-diamine
CID 60854775
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
1-methoxy-2-tetradecylbenzene
CID 69169530
2,5-dichloro-3,6-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23624875
1-[(2-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42836968
2-[(2-methoxyphenyl)methyl]undecan-1-amine
CID 63497601

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine (CID 91088877) is 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine is CCCCC(N)CN(CC)Cc1ccccc1OC.
What is the InChIKey of 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
The InChIKey is CGGLUWLMRFCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-6-10-15(17)13-18(5-2)12-14-9-7-8-11-16(14)19-3/h7-9,11,15H,4-6,10,12-13,17H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine?
1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 91088877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).