4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol

C16H23NO — CID 79979684

IUPAC4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2cccc(C3CC3)c2)CC1
InChIInChI=1S/C16H23NO/c18-16-8-6-15(7-9-16)17-11-12-2-1-3-14(10-12)13-4-5-13/h1-3,10,13,15-18H,4-9,11H2
InChIKeyRAFYAKHPYXHRRD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.96
Rot. Bonds4

About 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol

4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 79979684) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
PubChem CID79979684
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2cccc(C3CC3)c2)CC1
InChIInChI=1S/C16H23NO/c18-16-8-6-15(7-9-16)17-11-12-2-1-3-14(10-12)13-4-5-13/h1-3,10,13,15-18H,4-9,11H2
InChIKeyRAFYAKHPYXHRRD-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
N-[(3-piperidin-3-ylphenyl)methyl]cyclopropanamine
CID 116988705
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79978495
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79983868
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol (CID 79979684) is 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol is OC1CCC(NCc2cccc(C3CC3)c2)CC1.
What is the InChIKey of 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is RAFYAKHPYXHRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16-8-6-15(7-9-16)17-11-12-2-1-3-14(10-12)13-4-5-13/h1-3,10,13,15-18H,4-9,11H2.
What are the key properties of 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol?
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 79979684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).