1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea

C14H21N3O — CID 55150019

IUPAC1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCC2N)cc1
InChIInChI=1S/C14H21N3O/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h6-9,12-13H,2-5,15H2,1H3,(H2,16,17,18)
InChIKeyANAZTBIRTNMUBT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea

1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea (PubChem CID 55150019) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
PubChem CID55150019
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCC2N)cc1
InChIInChI=1S/C14H21N3O/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h6-9,12-13H,2-5,15H2,1H3,(H2,16,17,18)
InChIKeyANAZTBIRTNMUBT-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63251608
1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
CID 93452783
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
CID 104953006

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea (CID 55150019) is 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCCCC2N)cc1.
What is the InChIKey of 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea?
The InChIKey is ANAZTBIRTNMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h6-9,12-13H,2-5,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea?
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 55150019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).