1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride

C19H20ClNO — CID 174387641

IUPAC1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride
SMILESCC(c1cccc2ccccc12)C(N)(O)c1ccccc1.Cl
InChIInChI=1S/C19H19NO.ClH/c1-14(19(20,21)16-10-3-2-4-11-16)17-13-7-9-15-8-5-6-12-18(15)17;/h2-14,21H,20H2,1H3;1H
InChIKeyFUVGURLYWLDEBJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.17
Rot. Bonds3

About 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride

1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride (PubChem CID 174387641) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride
PubChem CID174387641
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride
SMILESCC(c1cccc2ccccc12)C(N)(O)c1ccccc1.Cl
InChIInChI=1S/C19H19NO.ClH/c1-14(19(20,21)16-10-3-2-4-11-16)17-13-7-9-15-8-5-6-12-18(15)17;/h2-14,21H,20H2,1H3;1H
InChIKeyFUVGURLYWLDEBJ-UHFFFAOYSA-N
XLogP4.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-naphthalen-1-yl-1,1-diphenylethanol
CID 66807943
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
ethyl 2-hydroxy-2-methyl-3-naphthalen-1-ylbutanoate
CID 79298470
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride (CID 174387641) is 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride is CC(c1cccc2ccccc12)C(N)(O)c1ccccc1.Cl.
What is the InChIKey of 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is FUVGURLYWLDEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c1-14(19(20,21)16-10-3-2-4-11-16)17-13-7-9-15-8-5-6-12-18(15)17;/h2-14,21H,20H2,1H3;1H.
What are the key properties of 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride?
1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 174387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).