N-butyl-6-(3-methylphenoxy)hexan-1-amine

C17H29NO — CID 2249508

IUPACN-butyl-6-(3-methylphenoxy)hexan-1-amine
SMILESCCCCNCCCCCCOc1cccc(C)c1
InChIInChI=1S/C17H29NO/c1-3-4-12-18-13-7-5-6-8-14-19-17-11-9-10-16(2)15-17/h9-11,15,18H,3-8,12-14H2,1-2H3
InChIKeyDQRWNPSJNJLGJE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.32
Rot. Bonds11

About N-butyl-6-(3-methylphenoxy)hexan-1-amine

N-butyl-6-(3-methylphenoxy)hexan-1-amine (PubChem CID 2249508) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-6-(3-methylphenoxy)hexan-1-amine.

Molecular Properties

Compound NameN-butyl-6-(3-methylphenoxy)hexan-1-amine
PubChem CID2249508
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-butyl-6-(3-methylphenoxy)hexan-1-amine
SMILESCCCCNCCCCCCOc1cccc(C)c1
InChIInChI=1S/C17H29NO/c1-3-4-12-18-13-7-5-6-8-14-19-17-11-9-10-16(2)15-17/h9-11,15,18H,3-8,12-14H2,1-2H3
InChIKeyDQRWNPSJNJLGJE-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
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-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
3-[4-(butylamino)butoxy]benzoic acid
CID 71156686
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-methylphenoxy)hexan-1-amine?
The IUPAC name of N-butyl-6-(3-methylphenoxy)hexan-1-amine (CID 2249508) is N-butyl-6-(3-methylphenoxy)hexan-1-amine.
What is the SMILES notation for N-butyl-6-(3-methylphenoxy)hexan-1-amine?
The canonical SMILES for N-butyl-6-(3-methylphenoxy)hexan-1-amine is CCCCNCCCCCCOc1cccc(C)c1.
What is the InChIKey of N-butyl-6-(3-methylphenoxy)hexan-1-amine?
The InChIKey is DQRWNPSJNJLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-4-12-18-13-7-5-6-8-14-19-17-11-9-10-16(2)15-17/h9-11,15,18H,3-8,12-14H2,1-2H3.
What are the key properties of N-butyl-6-(3-methylphenoxy)hexan-1-amine?
N-butyl-6-(3-methylphenoxy)hexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-methylphenoxy)hexan-1-amine is sourced from PubChem (CID 2249508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).