1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine

C14H25N3 — CID 83962526

IUPAC1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1ccc(CN(C)C)cc1
InChIInChI=1S/C14H25N3/c1-11(2)14(15)9-16-13-7-5-12(6-8-13)10-17(3)4/h5-8,11,14,16H,9-10,15H2,1-4H3
InChIKeyCVUGZDWEYJAEAS-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.14
Rot. Bonds6

About 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine

1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine (PubChem CID 83962526) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
PubChem CID83962526
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1ccc(CN(C)C)cc1
InChIInChI=1S/C14H25N3/c1-11(2)14(15)9-16-13-7-5-12(6-8-13)10-17(3)4/h5-8,11,14,16H,9-10,15H2,1-4H3
InChIKeyCVUGZDWEYJAEAS-UHFFFAOYSA-N
XLogP2.14
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 83955072
1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
1-N-[4-[2-(diethylamino)ethyl]phenyl]-3-methylbutane-1,2-diamine
CID 83963008
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
3-methyl-1-N-(4-propan-2-yloxyphenyl)butane-1,2-diamine
CID 83945808
1-N-(4-ethoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961932
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
CID 43747152
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
4-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 115876906

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine (CID 83962526) is 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine is CC(C)C(N)CNc1ccc(CN(C)C)cc1.
What is the InChIKey of 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine?
The InChIKey is CVUGZDWEYJAEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)14(15)9-16-13-7-5-12(6-8-13)10-17(3)4/h5-8,11,14,16H,9-10,15H2,1-4H3.
What are the key properties of 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine?
1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[(dimethylamino)methyl]phenyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 83962526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).