1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea

C16H25N3O — CID 62500632

IUPAC1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
SMILESNCCc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H25N3O/c17-11-10-13-6-8-14(9-7-13)12-18-16(20)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,17H2,(H2,18,19,20)
InChIKeyVMFTZZSEPWVQQO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.32
Rot. Bonds5

About 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea

1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea (PubChem CID 62500632) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
PubChem CID62500632
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
SMILESNCCc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H25N3O/c17-11-10-13-6-8-14(9-7-13)12-18-16(20)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,17H2,(H2,18,19,20)
InChIKeyVMFTZZSEPWVQQO-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
CID 110775362
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106827980
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea?
The IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea (CID 62500632) is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea is NCCc1ccc(CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea?
The InChIKey is VMFTZZSEPWVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-11-10-13-6-8-14(9-7-13)12-18-16(20)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,17H2,(H2,18,19,20).
What are the key properties of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea?
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea has a molecular weight of 275.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea is sourced from PubChem (CID 62500632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).