1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea

C14H21N3O — CID 93452802

IUPAC1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2N)c1
InChIInChI=1S/C14H21N3O/c1-10-5-4-6-11(9-10)16-14(18)17-13-8-3-2-7-12(13)15/h4-6,9,12-13H,2-3,7-8,15H2,1H3,(H2,16,17,18)/t12-,13-/m1/s1
InChIKeyDIEIKIRLBHGUNQ-CHWSQXEVSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds2

About 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea

1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea (PubChem CID 93452802) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
PubChem CID93452802
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2N)c1
InChIInChI=1S/C14H21N3O/c1-10-5-4-6-11(9-10)16-14(18)17-13-8-3-2-7-12(13)15/h4-6,9,12-13H,2-3,7-8,15H2,1H3,(H2,16,17,18)/t12-,13-/m1/s1
InChIKeyDIEIKIRLBHGUNQ-CHWSQXEVSA-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-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
CID 93452783
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
1-[3-(aminomethyl)phenyl]-3-(2-ethylcyclohexyl)urea
CID 61468180
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea (CID 93452802) is 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2N)c1.
What is the InChIKey of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea?
The InChIKey is DIEIKIRLBHGUNQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-4-6-11(9-10)16-14(18)17-13-8-3-2-7-12(13)15/h4-6,9,12-13H,2-3,7-8,15H2,1H3,(H2,16,17,18)/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea?
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-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-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 93452802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).