N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride

C11H18ClNO — CID 117066903

IUPACN,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
SMILESCC(CN(C)C)Oc1ccccc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-10(9-12(2)3)13-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H
InChIKeyPMEBVQFURPLGKT-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.44
Rot. Bonds4

About N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride

N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride (PubChem CID 117066903) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
PubChem CID117066903
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC NameN,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
SMILESCC(CN(C)C)Oc1ccccc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-10(9-12(2)3)13-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H
InChIKeyPMEBVQFURPLGKT-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
N,N-dimethyl-2-[3-(2-phenylethynyl)phenoxy]propan-1-amine
CID 54376621
(2S)-N,N-dimethyl-2-[4-[(E)-2-nitro-1,2-diphenylethenyl]phenoxy]propan-1-amine
CID 97301890
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)oxy]propan-1-amine
CID 134406627
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
CID 21410
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3065816
but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine
CID 3084253
1-[2-[(2R)-1-(dimethylamino)propan-2-yl]oxyphenyl]ethanone
CID 129322733
(2R)-N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2-phenoxypropanamide
CID 2233791

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride (CID 117066903) is N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride is CC(CN(C)C)Oc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride?
The InChIKey is PMEBVQFURPLGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-10(9-12(2)3)13-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride?
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 117066903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).