2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine

C19H23NO — CID 82185960

IUPAC2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H23NO/c20-19-12-5-4-8-16(19)13-15-7-6-11-18(14-15)21-17-9-2-1-3-10-17/h1-3,6-7,9-11,14,16,19H,4-5,8,12-13,20H2
InChIKeyBMXNEAYCQZTKFH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.54
Rot. Bonds4

About 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine

2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 82185960) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID82185960
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H23NO/c20-19-12-5-4-8-16(19)13-15-7-6-11-18(14-15)21-17-9-2-1-3-10-17/h1-3,6-7,9-11,14,16,19H,4-5,8,12-13,20H2
InChIKeyBMXNEAYCQZTKFH-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
CID 162338619
CID 162338619
2-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
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2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
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(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepane-3-carboxamide
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2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
4-[(3-phenoxyphenyl)methylsulfonyl]butanamide
CID 70082556
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
CID 61381561

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine (CID 82185960) is 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine is NC1CCCCC1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is BMXNEAYCQZTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c20-19-12-5-4-8-16(19)13-15-7-6-11-18(14-15)21-17-9-2-1-3-10-17/h1-3,6-7,9-11,14,16,19H,4-5,8,12-13,20H2.
What are the key properties of 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine?
2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 82185960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).