N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine

C19H33NO — CID 62452811

IUPACN-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
SMILESCc1ccc(C(C)C)c(OC(C)CCCNC(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)17-11-10-15(3)13-18(17)21-16(4)9-8-12-20-19(5,6)7/h10-11,13-14,16,20H,8-9,12H2,1-7H3
InChIKeyHTZIMRFAQQHQBH-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.05
Rot. Bonds7

About N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine

N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine (PubChem CID 62452811) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
PubChem CID62452811
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
SMILESCc1ccc(C(C)C)c(OC(C)CCCNC(C)(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)17-11-10-15(3)13-18(17)21-16(4)9-8-12-20-19(5,6)7/h10-11,13-14,16,20H,8-9,12H2,1-7H3
InChIKeyHTZIMRFAQQHQBH-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.05
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-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
4-(2-bromo-4-fluorophenoxy)-N-tert-butylpentan-1-amine
CID 62451485
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943648
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine (CID 62452811) is N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine is Cc1ccc(C(C)C)c(OC(C)CCCNC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine?
The InChIKey is HTZIMRFAQQHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)17-11-10-15(3)13-18(17)21-16(4)9-8-12-20-19(5,6)7/h10-11,13-14,16,20H,8-9,12H2,1-7H3.
What are the key properties of N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine?
N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.05, 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-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine is sourced from PubChem (CID 62452811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).