(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride

C14H22ClNO — CID 171225239

IUPAC(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cccc([C@@H](N)C2CCCC2)c1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-16-13-9-5-8-12(10-13)14(15)11-6-3-4-7-11;/h5,8-11,14H,2-4,6-7,15H2,1H3;1H/t14-;/m0./s1
InChIKeyAXHLVJLUNRZQRQ-UQKRIMTDSA-N
MW255.79 g/mol
LogP3.70
Rot. Bonds4

About (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride

(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride (PubChem CID 171225239) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
PubChem CID171225239
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cccc([C@@H](N)C2CCCC2)c1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-2-16-13-9-5-8-12(10-13)14(15)11-6-3-4-7-11;/h5,8-11,14H,2-4,6-7,15H2,1H3;1H/t14-;/m0./s1
InChIKeyAXHLVJLUNRZQRQ-UQKRIMTDSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
CID 116771298
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride (CID 171225239) is (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride is CCOc1cccc([C@@H](N)C2CCCC2)c1.Cl.
What is the InChIKey of (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride?
The InChIKey is AXHLVJLUNRZQRQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-2-16-13-9-5-8-12(10-13)14(15)11-6-3-4-7-11;/h5,8-11,14H,2-4,6-7,15H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride?
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171225239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).