2-methyl-6-phenoxy-N-propylhexan-1-amine

C16H27NO — CID 64664128

IUPAC2-methyl-6-phenoxy-N-propylhexan-1-amine
SMILESCCCNCC(C)CCCCOc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-12-17-14-15(2)9-7-8-13-18-16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3
InChIKeySRPBRQUMZYGROS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.87
Rot. Bonds10

About 2-methyl-6-phenoxy-N-propylhexan-1-amine

2-methyl-6-phenoxy-N-propylhexan-1-amine (PubChem CID 64664128) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-6-phenoxy-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-methyl-6-phenoxy-N-propylhexan-1-amine
PubChem CID64664128
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-6-phenoxy-N-propylhexan-1-amine
SMILESCCCNCC(C)CCCCOc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-12-17-14-15(2)9-7-8-13-18-16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3
InChIKeySRPBRQUMZYGROS-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.87
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

10-methyldodecoxybenzene
CID 143389992
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 177320418
2-(2-phenoxyethoxy)-N-propylbutan-1-amine
CID 62455802
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
1-phenoxy-N-propylnonan-3-amine
CID 63414499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenoxy-N-propylhexan-1-amine?
The IUPAC name of 2-methyl-6-phenoxy-N-propylhexan-1-amine (CID 64664128) is 2-methyl-6-phenoxy-N-propylhexan-1-amine.
What is the SMILES notation for 2-methyl-6-phenoxy-N-propylhexan-1-amine?
The canonical SMILES for 2-methyl-6-phenoxy-N-propylhexan-1-amine is CCCNCC(C)CCCCOc1ccccc1.
What is the InChIKey of 2-methyl-6-phenoxy-N-propylhexan-1-amine?
The InChIKey is SRPBRQUMZYGROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-12-17-14-15(2)9-7-8-13-18-16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3.
What are the key properties of 2-methyl-6-phenoxy-N-propylhexan-1-amine?
2-methyl-6-phenoxy-N-propylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenoxy-N-propylhexan-1-amine is sourced from PubChem (CID 64664128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).