4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine

C18H31NO — CID 115493310

IUPAC4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCCCc1ccc(OCCCCNCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-4-5-8-17-9-11-18(12-10-17)20-14-7-6-13-19-15-16(2)3/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeyRNIWPVTVDCJMHK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds11

About 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine

4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 115493310) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID115493310
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCCCc1ccc(OCCCCNCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-4-5-8-17-9-11-18(12-10-17)20-14-7-6-13-19-15-16(2)3/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeyRNIWPVTVDCJMHK-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
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

5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
1-hexoxy-4-pentylbenzene
CID 54277450
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine (CID 115493310) is 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine is CCCCc1ccc(OCCCCNCC(C)C)cc1.
What is the InChIKey of 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is RNIWPVTVDCJMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-8-17-9-11-18(12-10-17)20-14-7-6-13-19-15-16(2)3/h9-12,16,19H,4-8,13-15H2,1-3H3.
What are the key properties of 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine?
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115493310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).