(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride

C18H24ClNO — CID 171243477

IUPAC(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-18(2,3)17(19)15-10-7-11-16(12-15)20-13-14-8-5-4-6-9-14;/h4-12,17H,13,19H2,1-3H3;1H/t17-;/m1./s1
InChIKeyNTRPEENHGHEUHU-UNTBIKODSA-N
MW305.85 g/mol
LogP4.73
Rot. Bonds4

About (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride

(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171243477) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171243477
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-18(2,3)17(19)15-10-7-11-16(12-15)20-13-14-8-5-4-6-9-14;/h4-12,17H,13,19H2,1-3H3;1H/t17-;/m1./s1
InChIKeyNTRPEENHGHEUHU-UNTBIKODSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
CID 171312580
[2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]hydrazine
CID 105305234
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171211275
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride (CID 171243477) is (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride is CC(C)(C)[C@H](N)c1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is NTRPEENHGHEUHU-UNTBIKODSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-18(2,3)17(19)15-10-7-11-16(12-15)20-13-14-8-5-4-6-9-14;/h4-12,17H,13,19H2,1-3H3;1H/t17-;/m1./s1.
What are the key properties of (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171243477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).