7-methyl-N-(3-phenoxypropyl)octan-1-amine

C18H31NO — CID 103604921

IUPAC7-methyl-N-(3-phenoxypropyl)octan-1-amine
SMILESCC(C)CCCCCCNCCCOc1ccccc1
InChIInChI=1S/C18H31NO/c1-17(2)11-6-3-4-9-14-19-15-10-16-20-18-12-7-5-8-13-18/h5,7-8,12-13,17,19H,3-4,6,9-11,14-16H2,1-2H3
InChIKeyGCURDTQJVLDHEV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.65
Rot. Bonds12

About 7-methyl-N-(3-phenoxypropyl)octan-1-amine

7-methyl-N-(3-phenoxypropyl)octan-1-amine (PubChem CID 103604921) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 7-methyl-N-(3-phenoxypropyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(3-phenoxypropyl)octan-1-amine
PubChem CID103604921
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name7-methyl-N-(3-phenoxypropyl)octan-1-amine
SMILESCC(C)CCCCCCNCCCOc1ccccc1
InChIInChI=1S/C18H31NO/c1-17(2)11-6-3-4-9-14-19-15-10-16-20-18-12-7-5-8-13-18/h5,7-8,12-13,17,19H,3-4,6,9-11,14-16H2,1-2H3
InChIKeyGCURDTQJVLDHEV-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.65
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-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385
N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
5-(3-phenoxypropylamino)pentanenitrile
CID 60697093
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-phenoxypropyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(3-phenoxypropyl)octan-1-amine (CID 103604921) is 7-methyl-N-(3-phenoxypropyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(3-phenoxypropyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(3-phenoxypropyl)octan-1-amine is CC(C)CCCCCCNCCCOc1ccccc1.
What is the InChIKey of 7-methyl-N-(3-phenoxypropyl)octan-1-amine?
The InChIKey is GCURDTQJVLDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-17(2)11-6-3-4-9-14-19-15-10-16-20-18-12-7-5-8-13-18/h5,7-8,12-13,17,19H,3-4,6,9-11,14-16H2,1-2H3.
What are the key properties of 7-methyl-N-(3-phenoxypropyl)octan-1-amine?
7-methyl-N-(3-phenoxypropyl)octan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-phenoxypropyl)octan-1-amine is sourced from PubChem (CID 103604921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).