4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline

C17H20N2 — CID 24936245

IUPAC4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESc1ccc(-c2ccc(NCC3CCCN3)cc2)cc1
InChIInChI=1S/C17H20N2/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)19-13-17-7-4-12-18-17/h1-3,5-6,8-11,17-19H,4,7,12-13H2
InChIKeyVTDZBJLBMCACCL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.52
Rot. Bonds4

About 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline

4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 24936245) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID24936245
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESc1ccc(-c2ccc(NCC3CCCN3)cc2)cc1
InChIInChI=1S/C17H20N2/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)19-13-17-7-4-12-18-17/h1-3,5-6,8-11,17-19H,4,7,12-13H2
InChIKeyVTDZBJLBMCACCL-UHFFFAOYSA-N
XLogP3.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
N-(aziridin-2-ylmethyl)aniline
CID 154474700
oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
CID 17389955
[4-(pyrrolidin-2-ylmethylamino)phenyl]urea
CID 106637716
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
methyl-[4-(pyrrolidin-2-ylmethylamino)phenyl]carbamic acid
CID 67666043
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
1-[4-(pyrrolidin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 106637474
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline (CID 24936245) is 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline is c1ccc(-c2ccc(NCC3CCCN3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is VTDZBJLBMCACCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-5-14(6-3-1)15-8-10-16(11-9-15)19-13-17-7-4-12-18-17/h1-3,5-6,8-11,17-19H,4,7,12-13H2.
What are the key properties of 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 24936245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).