N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine

C18H31NO — CID 63505573

IUPACN-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-7-8-13-19-14-15(2)20-17-11-9-16(10-12-17)18(3,4)5/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyDZVZRMNAVDKRLS-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds8

About N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine

N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine (PubChem CID 63505573) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
PubChem CID63505573
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-7-8-13-19-14-15(2)20-17-11-9-16(10-12-17)18(3,4)5/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyDZVZRMNAVDKRLS-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylphenoxy)propyl]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-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
CID 62572869
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
N-[2-(3-methylsulfonylphenoxy)propyl]pentan-1-amine
CID 62582496
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine (CID 63505573) is N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine is CCCCCNCC(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine?
The InChIKey is DZVZRMNAVDKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-7-8-13-19-14-15(2)20-17-11-9-16(10-12-17)18(3,4)5/h9-12,15,19H,6-8,13-14H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine?
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine is sourced from PubChem (CID 63505573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).