1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea

C15H23N3O2 — CID 64929037

IUPAC1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1CCCCC1N
InChIInChI=1S/C15H23N3O2/c1-20-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h4-5,8-9,11-12H,2-3,6-7,10,16H2,1H3,(H2,17,18,19)
InChIKeyAVNIROAHBBFIBX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.33
Rot. Bonds4

About 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea

1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 64929037) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID64929037
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1CCCCC1N
InChIInChI=1S/C15H23N3O2/c1-20-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h4-5,8-9,11-12H,2-3,6-7,10,16H2,1H3,(H2,17,18,19)
InChIKeyAVNIROAHBBFIBX-UHFFFAOYSA-N
XLogP2.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
CID 103970292
1-[[(2S)-1,4-dithian-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 95975277
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea (CID 64929037) is 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC1CCCCC1N.
What is the InChIKey of 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is AVNIROAHBBFIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-9-5-4-8-13(14)18-15(19)17-10-11-6-2-3-7-12(11)16/h4-5,8-9,11-12H,2-3,6-7,10,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea?
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 64929037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).