1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine

C18H23NO — CID 43108631

IUPAC1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCc1ccccc1C(N)COc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-10-16(11-9-15)20-12-18(19)17-7-5-4-6-14(17)3/h4-11,13,18H,12,19H2,1-3H3
InChIKeyYGXFHLGCHXPWGV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds5

About 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine

1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine (PubChem CID 43108631) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
PubChem CID43108631
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCc1ccccc1C(N)COc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-10-16(11-9-15)20-12-18(19)17-7-5-4-6-14(17)3/h4-11,13,18H,12,19H2,1-3H3
InChIKeyYGXFHLGCHXPWGV-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butan-2-ylphenoxy)-1-(2-methylphenyl)ethanamine
CID 107664275
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63500552
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137348
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
2-(2-ethylphenoxy)-1-(2-methylphenyl)ethanamine
CID 43364243
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine (CID 43108631) is 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine is Cc1ccccc1C(N)COc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The InChIKey is YGXFHLGCHXPWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-8-10-16(11-9-15)20-12-18(19)17-7-5-4-6-14(17)3/h4-11,13,18H,12,19H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine?
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 43108631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).