N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine

C14H22ClNO — CID 62571241

IUPACN-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H22ClNO/c1-5-11(3)16-9-12(4)17-14-7-6-13(15)8-10(14)2/h6-8,11-12,16H,5,9H2,1-4H3
InChIKeyVIMRMOCFTQVAIU-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine

N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine (PubChem CID 62571241) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
PubChem CID62571241
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C14H22ClNO/c1-5-11(3)16-9-12(4)17-14-7-6-13(15)8-10(14)2/h6-8,11-12,16H,5,9H2,1-4H3
InChIKeyVIMRMOCFTQVAIU-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-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

2-(4-chloro-2-methylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62571552
N-[2-(4-chloro-2-methylphenoxy)propyl]-3-methylbutan-1-amine
CID 63506904
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
N-[2-(2,5-dichlorophenoxy)propyl]pentan-3-amine
CID 63505082
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine (CID 62571241) is N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine is CCC(C)NCC(C)Oc1ccc(Cl)cc1C.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine?
The InChIKey is VIMRMOCFTQVAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-11(3)16-9-12(4)17-14-7-6-13(15)8-10(14)2/h6-8,11-12,16H,5,9H2,1-4H3.
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine?
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine is sourced from PubChem (CID 62571241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).