1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine

C12H19N3 — CID 126490088

IUPAC1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc(N)cc2)C1
InChIInChI=1S/C12H19N3/c1-14-12-6-7-15(9-12)8-10-2-4-11(13)5-3-10/h2-5,12,14H,6-9,13H2,1H3
InChIKeyBSCMIZBMKLUZJR-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.06
Rot. Bonds3

About 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine

1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 126490088) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID126490088
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2ccc(N)cc2)C1
InChIInChI=1S/C12H19N3/c1-14-12-6-7-15(9-12)8-10-2-4-11(13)5-3-10/h2-5,12,14H,6-9,13H2,1H3
InChIKeyBSCMIZBMKLUZJR-UHFFFAOYSA-N
XLogP1.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine (CID 126490088) is 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2ccc(N)cc2)C1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is BSCMIZBMKLUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-12-6-7-15(9-12)8-10-2-4-11(13)5-3-10/h2-5,12,14H,6-9,13H2,1H3.
What are the key properties of 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine?
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 126490088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).