1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine

C16H22ClNO2 — CID 117476614

IUPAC1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(Cl)cc(C2(N)CCCCC2)c1OC1CC1
InChIInChI=1S/C16H22ClNO2/c1-19-14-10-11(17)9-13(15(14)20-12-5-6-12)16(18)7-3-2-4-8-16/h9-10,12H,2-8,18H2,1H3
InChIKeyKHVKAZKZBLRFTL-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.01
Rot. Bonds4

About 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine

1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine (PubChem CID 117476614) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
PubChem CID117476614
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(Cl)cc(C2(N)CCCCC2)c1OC1CC1
InChIInChI=1S/C16H22ClNO2/c1-19-14-10-11(17)9-13(15(14)20-12-5-6-12)16(18)7-3-2-4-8-16/h9-10,12H,2-8,18H2,1H3
InChIKeyKHVKAZKZBLRFTL-UHFFFAOYSA-N
XLogP4.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclobutan-1-amine
CID 117478270
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
5-chloro-2-cyclopropyloxy-1-(1-isocyanatocyclopentyl)-3-methoxybenzene
CID 117492677
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
5-chloro-2-cyclopentyloxy-1-(1-isocyanatocyclopropyl)-3-methoxybenzene
CID 117492686
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494434
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117456395

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine (CID 117476614) is 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine is COc1cc(Cl)cc(C2(N)CCCCC2)c1OC1CC1.
What is the InChIKey of 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is KHVKAZKZBLRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-19-14-10-11(17)9-13(15(14)20-12-5-6-12)16(18)7-3-2-4-8-16/h9-10,12H,2-8,18H2,1H3.
What are the key properties of 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine?
1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 295.81 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117476614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).