(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride

C17H22ClNO — CID 171246480

IUPAC(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-17(2,3)16(18)13-8-7-11-15(12-13)19-14-9-5-4-6-10-14;/h4-12,16H,18H2,1-3H3;1H/t16-;/m0./s1
InChIKeyOIWXSMCCTWPWCF-NTISSMGPSA-N
MW291.82 g/mol
LogP4.95
Rot. Bonds3

About (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride

(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171246480) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171246480
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-17(2,3)16(18)13-8-7-11-15(12-13)19-14-9-5-4-6-10-14;/h4-12,16H,18H2,1-3H3;1H/t16-;/m0./s1
InChIKeyOIWXSMCCTWPWCF-NTISSMGPSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride (CID 171246480) is (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1cccc(Oc2ccccc2)c1.Cl.
What is the InChIKey of (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is OIWXSMCCTWPWCF-NTISSMGPSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-17(2,3)16(18)13-8-7-11-15(12-13)19-14-9-5-4-6-10-14;/h4-12,16H,18H2,1-3H3;1H/t16-;/m0./s1.
What are the key properties of (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride?
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171246480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).