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

C17H20N2 — CID 69019447

IUPACN-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESc1ccc(N(CC2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2
InChIKeyURHJQUBQJPFGEN-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.58
Rot. Bonds4

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

N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 69019447) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID69019447
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESc1ccc(N(CC2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2
InChIKeyURHJQUBQJPFGEN-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 134382841
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
CID 84674469

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline (CID 69019447) is N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline is c1ccc(N(CC2CCCN2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is URHJQUBQJPFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2.
What are the key properties of N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline?
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 69019447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).