N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine

C19H25N — CID 63424719

IUPACN-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N/c1-4-13-20-14-18-7-5-6-8-19(18)17-11-9-16(10-12-17)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyCDXZPQVWDYRFBX-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.98
Rot. Bonds6

About N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine

N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 63424719) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
PubChem CID63424719
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C19H25N/c1-4-13-20-14-18-7-5-6-8-19(18)17-11-9-16(10-12-17)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKeyCDXZPQVWDYRFBX-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634
N-[[2-[4-(difluoromethylsulfanyl)phenyl]phenyl]methyl]propan-1-amine
CID 63425013
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
N-[[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methyl]propan-1-amine
CID 63021469
N-[(2-quinolin-7-ylphenyl)methyl]propan-1-amine
CID 81230157
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612
2-[2-(propylaminomethyl)phenyl]sulfanylethanol
CID 63807692
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 55110548

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine (CID 63424719) is N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is CDXZPQVWDYRFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-13-20-14-18-7-5-6-8-19(18)17-11-9-16(10-12-17)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3.
What are the key properties of N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine?
N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63424719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).