1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide

C12H19BrNO- — CID 53314010

IUPAC1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
SMILESCOCC(C)NCc1cccc(C)c1.[Br-]
InChIInChI=1S/C12H19NO.BrH/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3;/h4-7,11,13H,8-9H2,1-3H3;1H/p-1
InChIKeyJJLSCSRASOPRJW-UHFFFAOYSA-M
MW273.19 g/mol
LogP-0.88
Rot. Bonds5

About 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide

1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide (PubChem CID 53314010) has the molecular formula C12H19BrNO- and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide.

Molecular Properties

Compound Name1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
PubChem CID53314010
Molecular FormulaC12H19BrNO-
Molecular Weight273.19 g/mol
Exact Mass272.07
IUPAC Name1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
SMILESCOCC(C)NCc1cccc(C)c1.[Br-]
InChIInChI=1S/C12H19NO.BrH/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3;/h4-7,11,13H,8-9H2,1-3H3;1H/p-1
InChIKeyJJLSCSRASOPRJW-UHFFFAOYSA-M
XLogP-0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
(2S)-1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 872134
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
1-ethylsulfanyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 115660780
4-[(1-methoxypropan-2-ylamino)methyl]aniline
CID 82670046
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide?
The IUPAC name of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide (CID 53314010) is 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide.
What is the SMILES notation for 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide?
The canonical SMILES for 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide is COCC(C)NCc1cccc(C)c1.[Br-].
What is the InChIKey of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide?
The InChIKey is JJLSCSRASOPRJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19NO.BrH/c1-10-5-4-6-12(7-10)8-13-11(2)9-14-3;/h4-7,11,13H,8-9H2,1-3H3;1H/p-1.
What are the key properties of 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide?
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide has a molecular weight of 273.19 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide is sourced from PubChem (CID 53314010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).