N-(4-methylphenyl)pyrrolidin-3-amine

C11H16N2 — CID 68925011

IUPACN-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11/h2-5,11-13H,6-8H2,1H3
InChIKeyHKGPOYCEDPUTPT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.77
Rot. Bonds2

About N-(4-methylphenyl)pyrrolidin-3-amine

N-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 68925011) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID68925011
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(NC2CCNC2)cc1
InChIInChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11/h2-5,11-13H,6-8H2,1H3
InChIKeyHKGPOYCEDPUTPT-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
CID 79731406
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
CID 71052306
1-methyl-5-(pyrrolidin-3-ylamino)pyridin-2-one
CID 79730284
N-(2-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 79724113
2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
CID 79724380
N-pyrrolidin-3-yl-1H-pyrrol-3-amine
CID 115118616
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(4-methylphenyl)pyrrolidin-3-amine (CID 68925011) is N-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(4-methylphenyl)pyrrolidin-3-amine is Cc1ccc(NC2CCNC2)cc1.
What is the InChIKey of N-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is HKGPOYCEDPUTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)13-11-6-7-12-8-11/h2-5,11-13H,6-8H2,1H3.
What are the key properties of N-(4-methylphenyl)pyrrolidin-3-amine?
N-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 68925011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).