2-(3-methoxyphenyl)hexan-2-amine

C13H21NO — CID 62620704

IUPAC2-(3-methoxyphenyl)hexan-2-amine
SMILESCCCCC(C)(N)c1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-5-9-13(2,14)11-7-6-8-12(10-11)15-3/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyIBQRNFNCFQNBAW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-methoxyphenyl)hexan-2-amine

2-(3-methoxyphenyl)hexan-2-amine (PubChem CID 62620704) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)hexan-2-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)hexan-2-amine
PubChem CID62620704
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3-methoxyphenyl)hexan-2-amine
SMILESCCCCC(C)(N)c1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-5-9-13(2,14)11-7-6-8-12(10-11)15-3/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyIBQRNFNCFQNBAW-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
(2S)-2-phenylhexan-2-amine
CID 10889241
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
(3S)-3-amino-3-(3-methoxyphenyl)butanenitrile
CID 130657362
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 60797838
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-phenyldecan-2-amine
CID 63408050

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)hexan-2-amine?
The IUPAC name of 2-(3-methoxyphenyl)hexan-2-amine (CID 62620704) is 2-(3-methoxyphenyl)hexan-2-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)hexan-2-amine?
The canonical SMILES for 2-(3-methoxyphenyl)hexan-2-amine is CCCCC(C)(N)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)hexan-2-amine?
The InChIKey is IBQRNFNCFQNBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-9-13(2,14)11-7-6-8-12(10-11)15-3/h6-8,10H,4-5,9,14H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)hexan-2-amine?
2-(3-methoxyphenyl)hexan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)hexan-2-amine is sourced from PubChem (CID 62620704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).