(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride

C15H24ClNO — CID 68978286

IUPAC(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride
SMILESCC=C(c1cccc(OC)c1)[C@@H](C)CN(C)C.Cl
InChIInChI=1S/C15H23NO.ClH/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5;/h6-10,12H,11H2,1-5H3;1H/t12-;/m0./s1
InChIKeyPIARDTFGLNPXMD-YDALLXLXSA-N
MW269.82 g/mol
LogP3.72
Rot. Bonds5

About (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride

(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride (PubChem CID 68978286) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride
PubChem CID68978286
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride
SMILESCC=C(c1cccc(OC)c1)[C@@H](C)CN(C)C.Cl
InChIInChI=1S/C15H23NO.ClH/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5;/h6-10,12H,11H2,1-5H3;1H/t12-;/m0./s1
InChIKeyPIARDTFGLNPXMD-YDALLXLXSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
CID 18974528
3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine
CID 18974556
(E,2S)-2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpent-3-en-1-amine;hydrochloride
CID 70008456
[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
CID 68829982
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
(2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)hexane-1,5-dione
CID 70868340
(Z)-N,N,2-trimethyl-3-(2-methylphenyl)pent-3-en-1-amine;hydrochloride
CID 140979903
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylbutan-1-amine
CID 142658972
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride?
The IUPAC name of (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride (CID 68978286) is (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride.
What is the SMILES notation for (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride?
The canonical SMILES for (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride is CC=C(c1cccc(OC)c1)[C@@H](C)CN(C)C.Cl.
What is the InChIKey of (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride?
The InChIKey is PIARDTFGLNPXMD-YDALLXLXSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5;/h6-10,12H,11H2,1-5H3;1H/t12-;/m0./s1.
What are the key properties of (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride?
(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride is sourced from PubChem (CID 68978286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).