4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine

C22H29N — CID 167058420

IUPAC4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine
SMILESC=C(CCc1cccc(CCCc2ccc(C)c(C)c2)c1)NC
InChIInChI=1S/C22H29N/c1-17-11-13-21(15-18(17)2)9-5-7-20-8-6-10-22(16-20)14-12-19(3)23-4/h6,8,10-11,13,15-16,23H,3,5,7,9,12,14H2,1-2,4H3
InChIKeyVPQFEYAWMRNCLI-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.14
Rot. Bonds8

About 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine

4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine (PubChem CID 167058420) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine
PubChem CID167058420
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine
SMILESC=C(CCc1cccc(CCCc2ccc(C)c(C)c2)c1)NC
InChIInChI=1S/C22H29N/c1-17-11-13-21(15-18(17)2)9-5-7-20-8-6-10-22(16-20)14-12-19(3)23-4/h6,8,10-11,13,15-16,23H,3,5,7,9,12,14H2,1-2,4H3
InChIKeyVPQFEYAWMRNCLI-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-methyl-4-phenylbut-1-en-2-amine
CID 143280576
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CID 123685669
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
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CID 110606651
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CID 91761122
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine?
The IUPAC name of 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine (CID 167058420) is 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine.
What is the SMILES notation for 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine?
The canonical SMILES for 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine is C=C(CCc1cccc(CCCc2ccc(C)c(C)c2)c1)NC.
What is the InChIKey of 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine?
The InChIKey is VPQFEYAWMRNCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-17-11-13-21(15-18(17)2)9-5-7-20-8-6-10-22(16-20)14-12-19(3)23-4/h6,8,10-11,13,15-16,23H,3,5,7,9,12,14H2,1-2,4H3.
What are the key properties of 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine?
4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine has a molecular weight of 307.48 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3,4-dimethylphenyl)propyl]phenyl]-N-methylbut-1-en-2-amine is sourced from PubChem (CID 167058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).