1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea

C16H25N3O2 — CID 103970292

IUPAC1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C16H25N3O2/c1-21-14-8-4-3-7-13(14)19-15(20)18-12-16(11-17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12,17H2,1H3,(H2,18,19,20)
InChIKeyOFJIMXYAYDXJOV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds5

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

1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea (PubChem CID 103970292) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
PubChem CID103970292
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC1(CN)CCCCC1
InChIInChI=1S/C16H25N3O2/c1-21-14-8-4-3-7-13(14)19-15(20)18-12-16(11-17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12,17H2,1H3,(H2,18,19,20)
InChIKeyOFJIMXYAYDXJOV-UHFFFAOYSA-N
XLogP2.73
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea (CID 103970292) is 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC1(CN)CCCCC1.
What is the InChIKey of 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is OFJIMXYAYDXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-14-8-4-3-7-13(14)19-15(20)18-12-16(11-17)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea?
1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 291.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(aminomethyl)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 103970292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).