2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine

C13H21NO — CID 82352700

IUPAC2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine
SMILESCC(CN)OCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13-6-4-12(5-7-13)9-15-11(3)8-14/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyWHYVGJSWUPRTMQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine

2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine (PubChem CID 82352700) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine
PubChem CID82352700
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine
SMILESCC(CN)OCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13-6-4-12(5-7-13)9-15-11(3)8-14/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyWHYVGJSWUPRTMQ-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
2-methyl-1-[(4-propan-2-ylphenyl)methoxy]propan-2-amine
CID 64537588
2-ethoxy-2-(4-propan-2-ylphenyl)ethanamine
CID 66071740
2-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)ethanamine
CID 65124981
2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
CID 102987139
4-[(4-bromophenyl)methoxy]pentan-1-amine
CID 82831924
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 83139380

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine (CID 82352700) is 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine is CC(CN)OCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine?
The InChIKey is WHYVGJSWUPRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)13-6-4-12(5-7-13)9-15-11(3)8-14/h4-7,10-11H,8-9,14H2,1-3H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine?
2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 82352700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).