4-(aminomethyl)-N-(2-methylpropyl)aniline

C11H18N2 — CID 83962134

IUPAC4-(aminomethyl)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(CN)cc1
InChIInChI=1S/C11H18N2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyKUDGSINQLKCGKB-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.21
Rot. Bonds4

About 4-(aminomethyl)-N-(2-methylpropyl)aniline

4-(aminomethyl)-N-(2-methylpropyl)aniline (PubChem CID 83962134) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropyl)aniline
PubChem CID83962134
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(aminomethyl)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(CN)cc1
InChIInChI=1S/C11H18N2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyKUDGSINQLKCGKB-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-methoxypropyl)aniline
CID 102694583
4-[3,6-bis(aminomethyl)-2-[4-(2-methylpropylamino)phenyl]phenyl]-N-(2-methylpropyl)aniline
CID 174940445
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
4-(2-methylpropylamino)phenol
CID 15847203
4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
CID 83961206
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
CID 146626149
4-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 115876906
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
N'-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 59849275
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)aniline (CID 83962134) is 4-(aminomethyl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropyl)aniline is CC(C)CNc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropyl)aniline?
The InChIKey is KUDGSINQLKCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylpropyl)aniline?
4-(aminomethyl)-N-(2-methylpropyl)aniline has a molecular weight of 178.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 83962134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).