N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine

C14H22ClNO — CID 2865567

IUPACN-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCc1ccc(Cl)c(OCCCNC(C)(C)C)c1
InChIInChI=1S/C14H22ClNO/c1-11-6-7-12(15)13(10-11)17-9-5-8-16-14(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyNUIFXGUXSBIJIJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds5

About N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine

N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 2865567) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
PubChem CID2865567
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCc1ccc(Cl)c(OCCCNC(C)(C)C)c1
InChIInChI=1S/C14H22ClNO/c1-11-6-7-12(15)13(10-11)17-9-5-8-16-14(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyNUIFXGUXSBIJIJ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
N-tert-butyl-5-(2-methoxy-4-methylphenoxy)pentan-1-amine
CID 62450478
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
CID 63516051

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine (CID 2865567) is N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine is Cc1ccc(Cl)c(OCCCNC(C)(C)C)c1.
What is the InChIKey of N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is NUIFXGUXSBIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11-6-7-12(15)13(10-11)17-9-5-8-16-14(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine?
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 2865567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).