N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine

C20H27N — CID 116545316

IUPACN-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
SMILESCCCc1cccc(-c2ccc(CNC(C)C)cc2C)c1
InChIInChI=1S/C20H27N/c1-5-7-17-8-6-9-19(13-17)20-11-10-18(12-16(20)4)14-21-15(2)3/h6,8-13,15,21H,5,7,14H2,1-4H3
InChIKeyPPLPPQANUFIPIN-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.11
Rot. Bonds6

About N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine

N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 116545316) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
PubChem CID116545316
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
SMILESCCCc1cccc(-c2ccc(CNC(C)C)cc2C)c1
InChIInChI=1S/C20H27N/c1-5-7-17-8-6-9-19(13-17)20-11-10-18(12-16(20)4)14-21-15(2)3/h6,8-13,15,21H,5,7,14H2,1-4H3
InChIKeyPPLPPQANUFIPIN-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[4-(2-bromophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 115503587
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 79692007
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine (CID 116545316) is N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine is CCCc1cccc(-c2ccc(CNC(C)C)cc2C)c1.
What is the InChIKey of N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is PPLPPQANUFIPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-7-17-8-6-9-19(13-17)20-11-10-18(12-16(20)4)14-21-15(2)3/h6,8-13,15,21H,5,7,14H2,1-4H3.
What are the key properties of N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine?
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 116545316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).