[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone

C15H20N2O — CID 165381996

IUPAC[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESNCc1ccc(C2(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C15H20N2O/c16-11-12-3-5-13(6-4-12)15(7-8-15)14(18)17-9-1-2-10-17/h3-6H,1-2,7-11,16H2
InChIKeyPOGMTXPKUNZWHO-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.80
Rot. Bonds3

About [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone

[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 165381996) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID165381996
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESNCc1ccc(C2(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C15H20N2O/c16-11-12-3-5-13(6-4-12)15(7-8-15)14(18)17-9-1-2-10-17/h3-6H,1-2,7-11,16H2
InChIKeyPOGMTXPKUNZWHO-UHFFFAOYSA-N
XLogP1.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 69308615
1-hydroxy-4-[4-[1-(pyrrolidine-1-carbonyl)cyclopropyl]phenyl]butan-2-one
CID 167603971
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
[1-(4-aminophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 112558251
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
CID 53110577
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 55607122
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone (CID 165381996) is [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone is NCc1ccc(C2(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is POGMTXPKUNZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-11-12-3-5-13(6-4-12)15(7-8-15)14(18)17-9-1-2-10-17/h3-6H,1-2,7-11,16H2.
What are the key properties of [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
[1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 244.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 165381996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).