N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine

C18H31NO — CID 62453840

IUPACN-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)16-10-7-11-17(13-16)20-15(3)9-8-12-19-18(4,5)6/h7,10-11,13-15,19H,8-9,12H2,1-6H3
InChIKeyFPUKLLWEYBOGQV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.75
Rot. Bonds7

About N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine

N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine (PubChem CID 62453840) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
PubChem CID62453840
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H31NO/c1-14(2)16-10-7-11-17(13-16)20-15(3)9-8-12-19-18(4,5)6/h7,10-11,13-15,19H,8-9,12H2,1-6H3
InChIKeyFPUKLLWEYBOGQV-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-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-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
CID 130223219
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
2-methyl-4-(3-propan-2-ylphenoxy)-2-(propylamino)pentanenitrile
CID 64727995
2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273515
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine (CID 62453840) is N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine is CC(CCCNC(C)(C)C)Oc1cccc(C(C)C)c1.
What is the InChIKey of N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine?
The InChIKey is FPUKLLWEYBOGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)16-10-7-11-17(13-16)20-15(3)9-8-12-19-18(4,5)6/h7,10-11,13-15,19H,8-9,12H2,1-6H3.
What are the key properties of N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine?
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine is sourced from PubChem (CID 62453840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).