4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine

C13H21NO — CID 62529986

IUPAC4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
SMILESCOCCC(CN)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-11-4-3-5-12(8-11)9-13(10-14)6-7-15-2/h3-5,8,13H,6-7,9-10,14H2,1-2H3
InChIKeyKOHLTJOVDTZENB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds6

About 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine

4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine (PubChem CID 62529986) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
PubChem CID62529986
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
SMILESCOCCC(CN)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-11-4-3-5-12(8-11)9-13(10-14)6-7-15-2/h3-5,8,13H,6-7,9-10,14H2,1-2H3
InChIKeyKOHLTJOVDTZENB-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxybutyl)-3-methylbenzene
CID 63016524
2-[(3-bromophenyl)methyl]-4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine
CID 104566257
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(3-methylphenyl)methyl]-4-propan-2-ylsulfonylbutan-1-amine
CID 106729560
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
1-[2-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]butyl]-3-methylbenzene
CID 112592411
1-[2-(bromomethyl)-4-ethoxybutyl]-3-methylbenzene
CID 66041509

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine (CID 62529986) is 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine is COCCC(CN)Cc1cccc(C)c1.
What is the InChIKey of 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine?
The InChIKey is KOHLTJOVDTZENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-3-5-12(8-11)9-13(10-14)6-7-15-2/h3-5,8,13H,6-7,9-10,14H2,1-2H3.
What are the key properties of 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine?
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62529986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).