(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride

C17H22ClNO — CID 171233021

IUPAC(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@@H](N)C1CCC1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-19-15-11-10-12-6-3-4-9-14(12)16(15)17(18)13-7-5-8-13;/h3-4,6,9-11,13,17H,2,5,7-8,18H2,1H3;1H/t17-;/m0./s1
InChIKeyKHHXDKCGHRCAOK-LMOVPXPDSA-N
MW291.82 g/mol
LogP4.46
Rot. Bonds4

About (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride

(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride (PubChem CID 171233021) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
PubChem CID171233021
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@@H](N)C1CCC1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-19-15-11-10-12-6-3-4-9-14(12)16(15)17(18)13-7-5-8-13;/h3-4,6,9-11,13,17H,2,5,7-8,18H2,1H3;1H/t17-;/m0./s1
InChIKeyKHHXDKCGHRCAOK-LMOVPXPDSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
1-[(S)-amino(cyclobutyl)methyl]naphthalen-2-ol
CID 171232064
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride (CID 171233021) is (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride is CCOc1ccc2ccccc2c1[C@@H](N)C1CCC1.Cl.
What is the InChIKey of (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride?
The InChIKey is KHHXDKCGHRCAOK-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-2-19-15-11-10-12-6-3-4-9-14(12)16(15)17(18)13-7-5-8-13;/h3-4,6,9-11,13,17H,2,5,7-8,18H2,1H3;1H/t17-;/m0./s1.
What are the key properties of (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride?
(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 171233021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).