N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine

C20H27N — CID 43480559

IUPACN-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H27N/c1-16(2)15-18-9-12-19(13-10-18)20(21-3)14-11-17-7-5-4-6-8-17/h4-10,12-13,16,20-21H,11,14-15H2,1-3H3
InChIKeyODVJLVJKXYXMOE-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.78
Rot. Bonds7

About N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine

N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine (PubChem CID 43480559) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
PubChem CID43480559
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H27N/c1-16(2)15-18-9-12-19(13-10-18)20(21-3)14-11-17-7-5-4-6-8-17/h4-10,12-13,16,20-21H,11,14-15H2,1-3H3
InChIKeyODVJLVJKXYXMOE-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
CID 115794124
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
ethane;2-methylpropylbenzene
CID 162200929
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine (CID 43480559) is N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
The InChIKey is ODVJLVJKXYXMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16(2)15-18-9-12-19(13-10-18)20(21-3)14-11-17-7-5-4-6-8-17/h4-10,12-13,16,20-21H,11,14-15H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine?
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 43480559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).