3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine

C13H22N2O — CID 96606230

IUPAC3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine
SMILESCOc1cc(CCCN)cc(CN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-15(2)10-12-7-11(5-4-6-14)8-13(9-12)16-3/h7-9H,4-6,10,14H2,1-3H3
InChIKeyVUSJVJDMADVBRA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds6

About 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine

3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine (PubChem CID 96606230) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine
PubChem CID96606230
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine
SMILESCOc1cc(CCCN)cc(CN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-15(2)10-12-7-11(5-4-6-14)8-13(9-12)16-3/h7-9H,4-6,10,14H2,1-3H3
InChIKeyVUSJVJDMADVBRA-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 15045276
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-butyl-3,5-dimethoxybenzene
CID 524875
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117405368
2-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propanoic acid
CID 115004273
1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411127
3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 81146091
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine (CID 96606230) is 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine is COc1cc(CCCN)cc(CN(C)C)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine?
The InChIKey is VUSJVJDMADVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)10-12-7-11(5-4-6-14)8-13(9-12)16-3/h7-9H,4-6,10,14H2,1-3H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine?
3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 96606230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).