N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine

C22H31N — CID 143173592

IUPACN-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCCCc1cccc(C)c1CCN(C)CCCc1ccccc1
InChIInChI=1S/C22H31N/c1-4-10-21-15-8-11-19(2)22(21)16-18-23(3)17-9-14-20-12-6-5-7-13-20/h5-8,11-13,15H,4,9-10,14,16-18H2,1-3H3
InChIKeyWVSJYCOTPKMFAB-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.05
Rot. Bonds9

About N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine

N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine (PubChem CID 143173592) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine
PubChem CID143173592
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCCCc1cccc(C)c1CCN(C)CCCc1ccccc1
InChIInChI=1S/C22H31N/c1-4-10-21-15-8-11-19(2)22(21)16-18-23(3)17-9-14-20-12-6-5-7-13-20/h5-8,11-13,15H,4,9-10,14,16-18H2,1-3H3
InChIKeyWVSJYCOTPKMFAB-UHFFFAOYSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine (CID 143173592) is N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine is CCCc1cccc(C)c1CCN(C)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is WVSJYCOTPKMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-4-10-21-15-8-11-19(2)22(21)16-18-23(3)17-9-14-20-12-6-5-7-13-20/h5-8,11-13,15H,4,9-10,14,16-18H2,1-3H3.
What are the key properties of N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine?
N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-6-propylphenyl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 143173592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).