[2-(1-aminocyclohexyl)phenyl]urea

C13H19N3O — CID 117338838

IUPAC[2-(1-aminocyclohexyl)phenyl]urea
SMILESNC(=O)Nc1ccccc1C1(N)CCCCC1
InChIInChI=1S/C13H19N3O/c14-12(17)16-11-7-3-2-6-10(11)13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,15H2,(H3,14,16,17)
InChIKeyHHHMCTIHDVGJQN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds2

About [2-(1-aminocyclohexyl)phenyl]urea

[2-(1-aminocyclohexyl)phenyl]urea (PubChem CID 117338838) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(1-aminocyclohexyl)phenyl]urea.

Molecular Properties

Compound Name[2-(1-aminocyclohexyl)phenyl]urea
PubChem CID117338838
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(1-aminocyclohexyl)phenyl]urea
SMILESNC(=O)Nc1ccccc1C1(N)CCCCC1
InChIInChI=1S/C13H19N3O/c14-12(17)16-11-7-3-2-6-10(11)13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,15H2,(H3,14,16,17)
InChIKeyHHHMCTIHDVGJQN-UHFFFAOYSA-N
XLogP2.30
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
3-[2-(1-aminocyclopropyl)phenyl]propanamide
CID 115023620
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
(2,3-diaminophenyl)urea
CID 18704055
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 43710737
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminocyclohexyl)phenyl]urea?
The IUPAC name of [2-(1-aminocyclohexyl)phenyl]urea (CID 117338838) is [2-(1-aminocyclohexyl)phenyl]urea.
What is the SMILES notation for [2-(1-aminocyclohexyl)phenyl]urea?
The canonical SMILES for [2-(1-aminocyclohexyl)phenyl]urea is NC(=O)Nc1ccccc1C1(N)CCCCC1.
What is the InChIKey of [2-(1-aminocyclohexyl)phenyl]urea?
The InChIKey is HHHMCTIHDVGJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12(17)16-11-7-3-2-6-10(11)13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9,15H2,(H3,14,16,17).
What are the key properties of [2-(1-aminocyclohexyl)phenyl]urea?
[2-(1-aminocyclohexyl)phenyl]urea has a molecular weight of 233.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminocyclohexyl)phenyl]urea is sourced from PubChem (CID 117338838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).