2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine

C18H23NO — CID 62389400

IUPAC2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCc1cccc(CC(N)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)20-17-9-7-16(8-10-17)18(19)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12,19H2,1-3H3
InChIKeyBDHAXXRWQYXPBD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.02
Rot. Bonds5

About 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 62389400) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID62389400
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCc1cccc(CC(N)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)20-17-9-7-16(8-10-17)18(19)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12,19H2,1-3H3
InChIKeyBDHAXXRWQYXPBD-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
1-[bromo-(3-methylphenyl)methyl]-4-propan-2-yloxybenzene
CID 63441349
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 62389400) is 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine is Cc1cccc(CC(N)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is BDHAXXRWQYXPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)20-17-9-7-16(8-10-17)18(19)12-15-6-4-5-14(3)11-15/h4-11,13,18H,12,19H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 62389400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).