[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid

C15H22N2O3 — CID 174110180

IUPAC[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
SMILESNc1ccc(OCC2CCC(CNC(=O)O)CC2)cc1
InChIInChI=1S/C15H22N2O3/c16-13-5-7-14(8-6-13)20-10-12-3-1-11(2-4-12)9-17-15(18)19/h5-8,11-12,17H,1-4,9-10,16H2,(H,18,19)
InChIKeyANTBNRJZBGZEHR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds5

About [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid

[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid (PubChem CID 174110180) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
PubChem CID174110180
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid
SMILESNc1ccc(OCC2CCC(CNC(=O)O)CC2)cc1
InChIInChI=1S/C15H22N2O3/c16-13-5-7-14(8-6-13)20-10-12-3-1-11(2-4-12)9-17-15(18)19/h5-8,11-12,17H,1-4,9-10,16H2,(H,18,19)
InChIKeyANTBNRJZBGZEHR-UHFFFAOYSA-N
XLogP2.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
CID 146356134
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107411017
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
4-[(1,1-dioxothietan-3-yl)methoxy]aniline
CID 84691275
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
cyclopropylmethoxybenzene
CID 12712156
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117313353

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid (CID 174110180) is [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid is Nc1ccc(OCC2CCC(CNC(=O)O)CC2)cc1.
What is the InChIKey of [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is ANTBNRJZBGZEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13-5-7-14(8-6-13)20-10-12-3-1-11(2-4-12)9-17-15(18)19/h5-8,11-12,17H,1-4,9-10,16H2,(H,18,19).
What are the key properties of [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid?
[4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 278.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminophenoxy)methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 174110180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).