2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine

C18H31NO — CID 54797379

IUPAC2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine
SMILESCCCCNCC(CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C18H31NO/c1-5-8-13-19-14-16(7-3)20-18-12-10-9-11-17(18)15(4)6-2/h9-12,15-16,19H,5-8,13-14H2,1-4H3
InChIKeyLCXUHEYFTVKSFI-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.75
Rot. Bonds10

About 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine

2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine (PubChem CID 54797379) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine
PubChem CID54797379
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine
SMILESCCCCNCC(CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C18H31NO/c1-5-8-13-19-14-16(7-3)20-18-12-10-9-11-17(18)15(4)6-2/h9-12,15-16,19H,5-8,13-14H2,1-4H3
InChIKeyLCXUHEYFTVKSFI-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]butyl]hexadecan-1-amine
CID 98044703
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[2-(2-butan-2-ylphenoxy)butyl]-2-(2-methylpropoxy)aniline
CID 54799985
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
CID 17150566
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine (CID 54797379) is 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine is CCCCNCC(CC)Oc1ccccc1C(C)CC.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine?
The InChIKey is LCXUHEYFTVKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-8-13-19-14-16(7-3)20-18-12-10-9-11-17(18)15(4)6-2/h9-12,15-16,19H,5-8,13-14H2,1-4H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine?
2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine is sourced from PubChem (CID 54797379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).