1-[3-(2-methylpropoxy)phenyl]propan-2-amine

C13H21NO — CID 60907864

IUPAC1-[3-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1cccc(CC(C)N)c1
InChIInChI=1S/C13H21NO/c1-10(2)9-15-13-6-4-5-12(8-13)7-11(3)14/h4-6,8,10-11H,7,9,14H2,1-3H3
InChIKeyRFPGDIDZZQVQTM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.61
Rot. Bonds5

About 1-[3-(2-methylpropoxy)phenyl]propan-2-amine

1-[3-(2-methylpropoxy)phenyl]propan-2-amine (PubChem CID 60907864) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)phenyl]propan-2-amine
PubChem CID60907864
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[3-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1cccc(CC(C)N)c1
InChIInChI=1S/C13H21NO/c1-10(2)9-15-13-6-4-5-12(8-13)7-11(3)14/h4-6,8,10-11H,7,9,14H2,1-3H3
InChIKeyRFPGDIDZZQVQTM-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
1-(2-methylpropoxy)-3-prop-2-enylbenzene
CID 91656681
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
1-[3-(2-propan-2-ylsulfanylethoxy)phenyl]propan-2-amine
CID 114268788
2-(4-methoxyphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82160336
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-(3-pent-3-ynoxyphenyl)propan-2-amine
CID 104807762
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2-methylpropoxy)phenyl]propan-2-amine (CID 60907864) is 1-[3-(2-methylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-methylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2-methylpropoxy)phenyl]propan-2-amine is CC(C)COc1cccc(CC(C)N)c1.
What is the InChIKey of 1-[3-(2-methylpropoxy)phenyl]propan-2-amine?
The InChIKey is RFPGDIDZZQVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)9-15-13-6-4-5-12(8-13)7-11(3)14/h4-6,8,10-11H,7,9,14H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropoxy)phenyl]propan-2-amine?
1-[3-(2-methylpropoxy)phenyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60907864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).