(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride

C15H22Cl2FNO — CID 171234582

IUPAC(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride
SMILESCCOc1c(F)cc([C@@H](N)C2CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H21ClFNO.ClH/c1-2-19-15-12(16)8-11(9-13(15)17)14(18)10-6-4-3-5-7-10;/h8-10,14H,2-7,18H2,1H3;1H/t14-;/m0./s1
InChIKeyOABFWEXDZDTLAP-UQKRIMTDSA-N
MW322.25 g/mol
LogP4.88
Rot. Bonds4

About (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride

(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171234582) has the molecular formula C15H22Cl2FNO and a molecular weight of 322.25 g/mol. Its IUPAC name is (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171234582
Molecular FormulaC15H22Cl2FNO
Molecular Weight322.25 g/mol
Exact Mass321.11
IUPAC Name(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride
SMILESCCOc1c(F)cc([C@@H](N)C2CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H21ClFNO.ClH/c1-2-19-15-12(16)8-11(9-13(15)17)14(18)10-6-4-3-5-7-10;/h8-10,14H,2-7,18H2,1H3;1H/t14-;/m0./s1
InChIKeyOABFWEXDZDTLAP-UQKRIMTDSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclobutylmethanamine
CID 171234575
(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclopropylmethanamine
CID 171234577
(1S)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234568
1-[(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171167483
1-[(R)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171295925
(1R,2S)-1-amino-1-(3-chloro-4-ethoxy-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171265564
(1S)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311983
1-[(R)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclobutylmethyl]piperazine
CID 171177883
(1R)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-3,3-difluoropropan-1-amine
CID 171313975
(2S,3S)-3-amino-3-(3-chloro-4-ethoxy-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171271254
(1S)-1-(3-chloro-4-ethoxy-5-fluorophenyl)-4-methylpentan-1-amine
CID 171234593
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride (CID 171234582) is (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride is CCOc1c(F)cc([C@@H](N)C2CCCCC2)cc1Cl.Cl.
What is the InChIKey of (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is OABFWEXDZDTLAP-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H21ClFNO.ClH/c1-2-19-15-12(16)8-11(9-13(15)17)14(18)10-6-4-3-5-7-10;/h8-10,14H,2-7,18H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride?
(S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 322.25 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-ethoxy-5-fluorophenyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171234582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).