N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine

C14H22ClNO — CID 62460087

IUPACN-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-5-12(10-16-14(2,3)4)17-13-8-6-7-11(15)9-13/h6-9,12,16H,5,10H2,1-4H3
InChIKeyJCKMVJZYPHVYJT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.89
Rot. Bonds5

About N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine

N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine (PubChem CID 62460087) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
PubChem CID62460087
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-5-12(10-16-14(2,3)4)17-13-8-6-7-11(15)9-13/h6-9,12,16H,5,10H2,1-4H3
InChIKeyJCKMVJZYPHVYJT-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
CID 63498433
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
1,3-di(pentan-3-yloxy)benzene
CID 91386050
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
2-(3-chlorophenoxy)propane-1,3-diol
CID 137319969
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
2-chloro-N-[2-(3-methylphenoxy)butyl]aniline
CID 54796120

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine (CID 62460087) is N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine is CCC(CNC(C)(C)C)Oc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine?
The InChIKey is JCKMVJZYPHVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-12(10-16-14(2,3)4)17-13-8-6-7-11(15)9-13/h6-9,12,16H,5,10H2,1-4H3.
What are the key properties of N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine?
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine is sourced from PubChem (CID 62460087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).