1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine

C12H20N2 — CID 116907106

IUPAC1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1cccc(CN)c1)N(C)C
InChIInChI=1S/C12H20N2/c1-4-12(14(2)3)11-7-5-6-10(8-11)9-13/h5-8,12H,4,9,13H2,1-3H3
InChIKeyDGLSBAAZDLMUSI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.16
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine

1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 116907106) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID116907106
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1cccc(CN)c1)N(C)C
InChIInChI=1S/C12H20N2/c1-4-12(14(2)3)11-7-5-6-10(8-11)9-13/h5-8,12H,4,9,13H2,1-3H3
InChIKeyDGLSBAAZDLMUSI-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propan-2-ylphenyl)methanamine
CID 21085835
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
1-[3-(aminomethyl)phenyl]-1-(4-bromothiophen-2-yl)-N,N-dimethylmethanamine
CID 116907123
(3-octan-4-ylphenyl)methanamine
CID 142098371
[3-(aminomethyl)phenyl]-propoxymethanol
CID 143382418
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine (CID 116907106) is 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine is CCC(c1cccc(CN)c1)N(C)C.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is DGLSBAAZDLMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12(14(2)3)11-7-5-6-10(8-11)9-13/h5-8,12H,4,9,13H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine?
1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 116907106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).