N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine

C19H25NO — CID 2846452

IUPACN-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCOc1ccc(CCC(C)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(20(2)15-18-7-5-4-6-8-18)9-10-17-11-13-19(21-3)14-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3
InChIKeySCBMIRQPTJCGQS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine

N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 2846452) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID2846452
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCOc1ccc(CCC(C)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(20(2)15-18-7-5-4-6-8-18)9-10-17-11-13-19(21-3)14-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3
InChIKeySCBMIRQPTJCGQS-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzethonium
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4-Methoxymethamphetamine
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Omigapil
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(S)-Venlafaxine
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CP-99994
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A-63162
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine (CID 2846452) is N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine is COc1ccc(CCC(C)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is SCBMIRQPTJCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(20(2)15-18-7-5-4-6-8-18)9-10-17-11-13-19(21-3)14-12-17/h4-8,11-14,16H,9-10,15H2,1-3H3.
What are the key properties of N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 2846452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).