N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine

C21H29NO — CID 54807564

IUPACN-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(NCCc1ccccc1C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H29NO/c1-5-21(19-10-12-20(13-11-19)23-16(2)3)22-15-14-18-9-7-6-8-17(18)4/h6-13,16,21-22H,5,14-15H2,1-4H3
InChIKeyGJDFGIFDWFNCQB-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.07
Rot. Bonds8

About N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine

N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 54807564) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID54807564
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(NCCc1ccccc1C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C21H29NO/c1-5-21(19-10-12-20(13-11-19)23-16(2)3)22-15-14-18-9-7-6-8-17(18)4/h6-13,16,21-22H,5,14-15H2,1-4H3
InChIKeyGJDFGIFDWFNCQB-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
CID 54807525
N-[2-(2-methylphenyl)ethyl]-4-propan-2-yloxyaniline
CID 54799793
3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
CID 79749127
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
2-anilino-2-(4-propan-2-yloxyphenyl)ethanol
CID 61047340
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine (CID 54807564) is N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine is CCC(NCCc1ccccc1C)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is GJDFGIFDWFNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-5-21(19-10-12-20(13-11-19)23-16(2)3)22-15-14-18-9-7-6-8-17(18)4/h6-13,16,21-22H,5,14-15H2,1-4H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine?
N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 54807564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).