4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine

C20H27N — CID 63528116

IUPAC4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1cccc(C)c1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-3-14-21-20(16-18-9-5-4-6-10-18)13-12-19-11-7-8-17(2)15-19/h4-11,15,20-21H,3,12-14,16H2,1-2H3
InChIKeyMFCGEPAYAXPCNX-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.54
Rot. Bonds8

About 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine

4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine (PubChem CID 63528116) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
PubChem CID63528116
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1cccc(C)c1)Cc1ccccc1
InChIInChI=1S/C20H27N/c1-3-14-21-20(16-18-9-5-4-6-10-18)13-12-19-11-7-8-17(2)15-19/h4-11,15,20-21H,3,12-14,16H2,1-2H3
InChIKeyMFCGEPAYAXPCNX-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
4-(3-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)-N-propylbutan-2-amine
CID 105159133
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine (CID 63528116) is 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine is CCCNC(CCc1cccc(C)c1)Cc1ccccc1.
What is the InChIKey of 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine?
The InChIKey is MFCGEPAYAXPCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-14-21-20(16-18-9-5-4-6-10-18)13-12-19-11-7-8-17(2)15-19/h4-11,15,20-21H,3,12-14,16H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine?
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 63528116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).