1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine

C16H21ClFNO — CID 117479484

IUPAC1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
SMILESNC1(c2cc(F)cc(Cl)c2OCC2CC2)CCCCC1
InChIInChI=1S/C16H21ClFNO/c17-14-9-12(18)8-13(15(14)20-10-11-4-5-11)16(19)6-2-1-3-7-16/h8-9,11H,1-7,10,19H2
InChIKeyCDOZWHODQHBSLP-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.39
Rot. Bonds4

About 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine

1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine (PubChem CID 117479484) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
PubChem CID117479484
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
SMILESNC1(c2cc(F)cc(Cl)c2OCC2CC2)CCCCC1
InChIInChI=1S/C16H21ClFNO/c17-14-9-12(18)8-13(15(14)20-10-11-4-5-11)16(19)6-2-1-3-7-16/h8-9,11H,1-7,10,19H2
InChIKeyCDOZWHODQHBSLP-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
CID 117464161
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117477319
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine (CID 117479484) is 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine is NC1(c2cc(F)cc(Cl)c2OCC2CC2)CCCCC1.
What is the InChIKey of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine?
The InChIKey is CDOZWHODQHBSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c17-14-9-12(18)8-13(15(14)20-10-11-4-5-11)16(19)6-2-1-3-7-16/h8-9,11H,1-7,10,19H2.
What are the key properties of 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine?
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine has a molecular weight of 297.80 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine is sourced from PubChem (CID 117479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).