N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine

C19H33NO — CID 83049497

IUPACN-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
SMILESCCCCc1ccc(OC(CCC)CNC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-8-10-16-11-13-17(14-12-16)21-18(9-7-2)15-20-19(3,4)5/h11-14,18,20H,6-10,15H2,1-5H3
InChIKeyNBDPFFFISWYYQO-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.96
Rot. Bonds9

About N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine

N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine (PubChem CID 83049497) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
PubChem CID83049497
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
SMILESCCCCc1ccc(OC(CCC)CNC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-8-10-16-11-13-17(14-12-16)21-18(9-7-2)15-20-19(3,4)5/h11-14,18,20H,6-10,15H2,1-5H3
InChIKeyNBDPFFFISWYYQO-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 177295923
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
4-butyl-N-(2-methylpentyl)aniline
CID 43108404
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine (CID 83049497) is N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine is CCCCc1ccc(OC(CCC)CNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine?
The InChIKey is NBDPFFFISWYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-8-10-16-11-13-17(14-12-16)21-18(9-7-2)15-20-19(3,4)5/h11-14,18,20H,6-10,15H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine?
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine is sourced from PubChem (CID 83049497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).