2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine

C20H27NO — CID 82138041

IUPAC2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
SMILESCc1ccc(C(CN)CCOc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C20H27NO/c1-15(2)18-5-4-6-20(13-18)22-12-11-19(14-21)17-9-7-16(3)8-10-17/h4-10,13,15,19H,11-12,14,21H2,1-3H3
InChIKeyLWDYDXKKEWFAOQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.63
Rot. Bonds7

About 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine

2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine (PubChem CID 82138041) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
PubChem CID82138041
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
SMILESCc1ccc(C(CN)CCOc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C20H27NO/c1-15(2)18-5-4-6-20(13-18)22-12-11-19(14-21)17-9-7-16(3)8-10-17/h4-10,13,15,19H,11-12,14,21H2,1-3H3
InChIKeyLWDYDXKKEWFAOQ-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
4-(4-chloro-3-methylphenoxy)-2-phenylbutan-1-amine
CID 82138850
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138051
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine (CID 82138041) is 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine is Cc1ccc(C(CN)CCOc2cccc(C(C)C)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is LWDYDXKKEWFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-15(2)18-5-4-6-20(13-18)22-12-11-19(14-21)17-9-7-16(3)8-10-17/h4-10,13,15,19H,11-12,14,21H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine?
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 82138041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).