4-(3-methoxyphenyl)-3-methylbutan-2-amine

C12H19NO — CID 60995099

IUPAC4-(3-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1cccc(CC(C)C(C)N)c1
InChIInChI=1S/C12H19NO/c1-9(10(2)13)7-11-5-4-6-12(8-11)14-3/h4-6,8-10H,7,13H2,1-3H3
InChIKeyPSALKDPNIVXFNM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.22
Rot. Bonds4

About 4-(3-methoxyphenyl)-3-methylbutan-2-amine

4-(3-methoxyphenyl)-3-methylbutan-2-amine (PubChem CID 60995099) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-methylbutan-2-amine
PubChem CID60995099
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(3-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1cccc(CC(C)C(C)N)c1
InChIInChI=1S/C12H19NO/c1-9(10(2)13)7-11-5-4-6-12(8-11)14-3/h4-6,8-10H,7,13H2,1-3H3
InChIKeyPSALKDPNIVXFNM-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-3-methylbutan-2-amine (CID 60995099) is 4-(3-methoxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-3-methylbutan-2-amine is COc1cccc(CC(C)C(C)N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-methylbutan-2-amine?
The InChIKey is PSALKDPNIVXFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(10(2)13)7-11-5-4-6-12(8-11)14-3/h4-6,8-10H,7,13H2,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-3-methylbutan-2-amine?
4-(3-methoxyphenyl)-3-methylbutan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 60995099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).