1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine

C17H24ClNO2 — CID 117494486

IUPAC1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1c(Cl)cc(C2(N)CCCCC2)cc1OCC1CC1
InChIInChI=1S/C17H24ClNO2/c1-20-16-14(18)9-13(17(19)7-3-2-4-8-17)10-15(16)21-11-12-5-6-12/h9-10,12H,2-8,11,19H2,1H3
InChIKeyGEUDCIKUBPKDJK-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.26
Rot. Bonds5

About 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine

1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine (PubChem CID 117494486) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
PubChem CID117494486
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
SMILESCOc1c(Cl)cc(C2(N)CCCCC2)cc1OCC1CC1
InChIInChI=1S/C17H24ClNO2/c1-20-16-14(18)9-13(17(19)7-3-2-4-8-17)10-15(16)21-11-12-5-6-12/h9-10,12H,2-8,11,19H2,1H3
InChIKeyGEUDCIKUBPKDJK-UHFFFAOYSA-N
XLogP4.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
1-chloro-3-(cyclopropylmethoxy)-5-(1-isocyanatocyclopropyl)-2-methoxybenzene
CID 117473987
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
CID 117499479
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
CID 117479484
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117432494
1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
CID 117382891
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 117428032
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
CID 89149885
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine (CID 117494486) is 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine is COc1c(Cl)cc(C2(N)CCCCC2)cc1OCC1CC1.
What is the InChIKey of 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
The InChIKey is GEUDCIKUBPKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-16-14(18)9-13(17(19)7-3-2-4-8-17)10-15(16)21-11-12-5-6-12/h9-10,12H,2-8,11,19H2,1H3.
What are the key properties of 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine?
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).