N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine

C18H31NO — CID 106457005

IUPACN-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
SMILESCC(C)COCCC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-15(2)14-20-12-11-17(13-19-18(3,4)5)16-9-7-6-8-10-16/h6-10,15,17,19H,11-14H2,1-5H3
InChIKeyWDIKYVZFMFFIDP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.22
Rot. Bonds8

About N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine

N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine (PubChem CID 106457005) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
PubChem CID106457005
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
SMILESCC(C)COCCC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-15(2)14-20-12-11-17(13-19-18(3,4)5)16-9-7-6-8-10-16/h6-10,15,17,19H,11-14H2,1-5H3
InChIKeyWDIKYVZFMFFIDP-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.22
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-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
2-(4-bromophenyl)-N-tert-butyl-4-ethoxybutan-1-amine
CID 79438359
2-(4-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79431613
N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457239
4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
CID 79430720
N-tert-butyl-2-phenyloct-7-en-1-amine
CID 81024608
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine (CID 106457005) is N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine is CC(C)COCCC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
The InChIKey is WDIKYVZFMFFIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)14-20-12-11-17(13-19-18(3,4)5)16-9-7-6-8-10-16/h6-10,15,17,19H,11-14H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine?
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine is sourced from PubChem (CID 106457005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).