[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone

C18H20N2O — CID 119486906

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESNCC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O/c19-12-14-10-11-20(13-14)18(21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13,19H2
InChIKeyLVYRNTIGZCKIEF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.77
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 119486906) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID119486906
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESNCC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O/c19-12-14-10-11-20(13-14)18(21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13,19H2
InChIKeyLVYRNTIGZCKIEF-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(2-methylsulfinylphenyl)phenyl]methanone
CID 143028594
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119483346
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluoro-2-methylphenyl)phenyl]methanone
CID 126450824
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 119485486
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone (CID 119486906) is [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone is NCC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is LVYRNTIGZCKIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-12-14-10-11-20(13-14)18(21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13,19H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 119486906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).