1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine

C14H24N2O — CID 131049038

IUPAC1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCCN(Cc1ccccc1)CC(C)(N)COC
InChIInChI=1S/C14H24N2O/c1-4-16(11-14(2,15)12-17-3)10-13-8-6-5-7-9-13/h5-9H,4,10-12,15H2,1-3H3
InChIKeyKZXXLPCSRQYZIL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds7

About 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine

1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine (PubChem CID 131049038) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
PubChem CID131049038
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
SMILESCCN(Cc1ccccc1)CC(C)(N)COC
InChIInChI=1S/C14H24N2O/c1-4-16(11-14(2,15)12-17-3)10-13-8-6-5-7-9-13/h5-9H,4,10-12,15H2,1-3H3
InChIKeyKZXXLPCSRQYZIL-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
CID 60852613
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
CID 65266664
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
1-N,1-N-diethyl-2,3-diphenylpropane-1,2-diamine
CID 43829798

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine (CID 131049038) is 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine is CCN(Cc1ccccc1)CC(C)(N)COC.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
The InChIKey is KZXXLPCSRQYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(11-14(2,15)12-17-3)10-13-8-6-5-7-9-13/h5-9H,4,10-12,15H2,1-3H3.
What are the key properties of 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine?
1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 131049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).