N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine

C18H23N — CID 63424945

IUPACN-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
SMILESCCCc1ccc(-c2ccc(CNCC)cc2)cc1
InChIInChI=1S/C18H23N/c1-3-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19-4-2/h6-13,19H,3-5,14H2,1-2H3
InChIKeyHEMLFCGJDJPJGA-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.42
Rot. Bonds6

About N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine

N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine (PubChem CID 63424945) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
PubChem CID63424945
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
SMILESCCCc1ccc(-c2ccc(CNCC)cc2)cc1
InChIInChI=1S/C18H23N/c1-3-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19-4-2/h6-13,19H,3-5,14H2,1-2H3
InChIKeyHEMLFCGJDJPJGA-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
2-[(4-propylphenyl)methylamino]ethanethiol
CID 115223914
N-[(4-thiophen-3-ylphenyl)methyl]ethanamine
CID 65100759
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine (CID 63424945) is N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine is CCCc1ccc(-c2ccc(CNCC)cc2)cc1.
What is the InChIKey of N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine?
The InChIKey is HEMLFCGJDJPJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19-4-2/h6-13,19H,3-5,14H2,1-2H3.
What are the key properties of N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine?
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63424945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).