N-(2-butoxyethyl)-1-phenylhexan-1-amine

C18H31NO — CID 63452751

IUPACN-(2-butoxyethyl)-1-phenylhexan-1-amine
SMILESCCCCCC(NCCOCCCC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-3-5-8-13-18(17-11-9-7-10-12-17)19-14-16-20-15-6-4-2/h7,9-12,18-19H,3-6,8,13-16H2,1-2H3
InChIKeyIIOPSCTZVLEUQM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.71
Rot. Bonds12

About N-(2-butoxyethyl)-1-phenylhexan-1-amine

N-(2-butoxyethyl)-1-phenylhexan-1-amine (PubChem CID 63452751) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-phenylhexan-1-amine
PubChem CID63452751
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(2-butoxyethyl)-1-phenylhexan-1-amine
SMILESCCCCCC(NCCOCCCC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-3-5-8-13-18(17-11-9-7-10-12-17)19-14-16-20-15-6-4-2/h7,9-12,18-19H,3-6,8,13-16H2,1-2H3
InChIKeyIIOPSCTZVLEUQM-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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

4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-pentyl-1-phenyldecan-1-amine
CID 10380274
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-phenylhexan-1-amine?
The IUPAC name of N-(2-butoxyethyl)-1-phenylhexan-1-amine (CID 63452751) is N-(2-butoxyethyl)-1-phenylhexan-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-phenylhexan-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-phenylhexan-1-amine is CCCCCC(NCCOCCCC)c1ccccc1.
What is the InChIKey of N-(2-butoxyethyl)-1-phenylhexan-1-amine?
The InChIKey is IIOPSCTZVLEUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-8-13-18(17-11-9-7-10-12-17)19-14-16-20-15-6-4-2/h7,9-12,18-19H,3-6,8,13-16H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-phenylhexan-1-amine?
N-(2-butoxyethyl)-1-phenylhexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.71, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-phenylhexan-1-amine is sourced from PubChem (CID 63452751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).