3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline

C12H19N3 — CID 82506971

IUPAC3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline
SMILESCC1CCCN1c1ccc(N)cc1CN
InChIInChI=1S/C12H19N3/c1-9-3-2-6-15(9)12-5-4-11(14)7-10(12)8-13/h4-5,7,9H,2-3,6,8,13-14H2,1H3
InChIKeyKLAVSLLPTPAVMX-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.72
Rot. Bonds2

About 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline

3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline (PubChem CID 82506971) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline
PubChem CID82506971
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline
SMILESCC1CCCN1c1ccc(N)cc1CN
InChIInChI=1S/C12H19N3/c1-9-3-2-6-15(9)12-5-4-11(14)7-10(12)8-13/h4-5,7,9H,2-3,6,8,13-14H2,1H3
InChIKeyKLAVSLLPTPAVMX-UHFFFAOYSA-N
XLogP1.72
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
[4-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81249026
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline
CID 91681120
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]methanesulfonamide
CID 99965906
[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
CID 169489145
[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 55062001
[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
CID 91675384

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline?
The IUPAC name of 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline (CID 82506971) is 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline?
The canonical SMILES for 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline is CC1CCCN1c1ccc(N)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline?
The InChIKey is KLAVSLLPTPAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-3-2-6-15(9)12-5-4-11(14)7-10(12)8-13/h4-5,7,9H,2-3,6,8,13-14H2,1H3.
What are the key properties of 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline?
3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline has a molecular weight of 205.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 82506971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).