1-(3-hexoxyphenyl)-N-methylpropan-1-amine

C16H27NO — CID 114079145

IUPAC1-(3-hexoxyphenyl)-N-methylpropan-1-amine
SMILESCCCCCCOc1cccc(C(CC)NC)c1
InChIInChI=1S/C16H27NO/c1-4-6-7-8-12-18-15-11-9-10-14(13-15)16(5-2)17-3/h9-11,13,16-17H,4-8,12H2,1-3H3
InChIKeyQQONTDCXYIOPGH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.32
Rot. Bonds9

About 1-(3-hexoxyphenyl)-N-methylpropan-1-amine

1-(3-hexoxyphenyl)-N-methylpropan-1-amine (PubChem CID 114079145) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-hexoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-hexoxyphenyl)-N-methylpropan-1-amine
PubChem CID114079145
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3-hexoxyphenyl)-N-methylpropan-1-amine
SMILESCCCCCCOc1cccc(C(CC)NC)c1
InChIInChI=1S/C16H27NO/c1-4-6-7-8-12-18-15-11-9-10-14(13-15)16(5-2)17-3/h9-11,13,16-17H,4-8,12H2,1-3H3
InChIKeyQQONTDCXYIOPGH-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
1,3-dihexadecoxybenzene
CID 12686834
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
CID 69117034
CID 69117034
2-(ethylamino)-1-(3-octadecoxyphenyl)ethanol
CID 21413933
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552

Frequently Asked Questions

What is the IUPAC name of 1-(3-hexoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-hexoxyphenyl)-N-methylpropan-1-amine (CID 114079145) is 1-(3-hexoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-hexoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-hexoxyphenyl)-N-methylpropan-1-amine is CCCCCCOc1cccc(C(CC)NC)c1.
What is the InChIKey of 1-(3-hexoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is QQONTDCXYIOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-7-8-12-18-15-11-9-10-14(13-15)16(5-2)17-3/h9-11,13,16-17H,4-8,12H2,1-3H3.
What are the key properties of 1-(3-hexoxyphenyl)-N-methylpropan-1-amine?
1-(3-hexoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hexoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 114079145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).