1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea

C15H23N3O — CID 63279777

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
SMILESCC(N)c1cccc(NC(=O)NC2CCCC2C)c1
InChIInChI=1S/C15H23N3O/c1-10-5-3-8-14(10)18-15(19)17-13-7-4-6-12(9-13)11(2)16/h4,6-7,9-11,14H,3,5,8,16H2,1-2H3,(H2,17,18,19)
InChIKeyNQQHQGOPGUWLIC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea (PubChem CID 63279777) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
PubChem CID63279777
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
SMILESCC(N)c1cccc(NC(=O)NC2CCCC2C)c1
InChIInChI=1S/C15H23N3O/c1-10-5-3-8-14(10)18-15(19)17-13-7-4-6-12(9-13)11(2)16/h4,6-7,9-11,14H,3,5,8,16H2,1-2H3,(H2,17,18,19)
InChIKeyNQQHQGOPGUWLIC-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
1-[3-(1-aminoethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732162
2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
CID 60586572
1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 129422282
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea (CID 63279777) is 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea is CC(N)c1cccc(NC(=O)NC2CCCC2C)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea?
The InChIKey is NQQHQGOPGUWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-3-8-14(10)18-15(19)17-13-7-4-6-12(9-13)11(2)16/h4,6-7,9-11,14H,3,5,8,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea has a molecular weight of 261.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea is sourced from PubChem (CID 63279777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).