(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine

C15H22ClNO — CID 63370510

IUPAC(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCCCC1Oc1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h7-11,14H,3-6,17H2,1-2H3/t10?,11-,14?/m1/s1
InChIKeyQUNSSWZYGADXAJ-IQLKVPPVSA-N
MW267.80 g/mol
LogP4.32
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine

(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 63370510) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID63370510
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCCCC1Oc1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h7-11,14H,3-6,17H2,1-2H3/t10?,11-,14?/m1/s1
InChIKeyQUNSSWZYGADXAJ-IQLKVPPVSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937737
1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 62912238
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde
CID 81146297
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695
(1S)-1-[3-chloro-4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 113389808
(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517
1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 43189015
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-chloro-4-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929435
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
5-[[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]methyl]pyrrolidin-2-one
CID 114281552

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine (CID 63370510) is (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine is CC1CCCCC1Oc1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is QUNSSWZYGADXAJ-IQLKVPPVSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h7-11,14H,3-6,17H2,1-2H3/t10?,11-,14?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine?
(1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 267.80 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 63370510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).