N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine

C14H22ClNO — CID 65125514

IUPACN-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine
SMILESCCCC(C)NCCOCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-3-5-12(2)16-8-9-17-11-13-6-4-7-14(15)10-13/h4,6-7,10,12,16H,3,5,8-9,11H2,1-2H3
InChIKeyLTHNWCITUFRUKG-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.63
Rot. Bonds8

About N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine

N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine (PubChem CID 65125514) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine
PubChem CID65125514
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine
SMILESCCCC(C)NCCOCc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-3-5-12(2)16-8-9-17-11-13-6-4-7-14(15)10-13/h4,6-7,10,12,16H,3,5,8-9,11H2,1-2H3
InChIKeyLTHNWCITUFRUKG-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.63
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-[(3-chlorophenyl)methoxy]ethyl]-3-methylbutan-1-amine
CID 65125757
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
CID 65125563
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
CID 119139076
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-2-amine
CID 62598050
2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
CID 65125259
N-[2-(2,4,5-trichlorophenoxy)ethyl]pentan-2-amine
CID 63505133

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine?
The IUPAC name of N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine (CID 65125514) is N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine?
The canonical SMILES for N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine is CCCC(C)NCCOCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine?
The InChIKey is LTHNWCITUFRUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-5-12(2)16-8-9-17-11-13-6-4-7-14(15)10-13/h4,6-7,10,12,16H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine?
N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methoxy]ethyl]pentan-2-amine is sourced from PubChem (CID 65125514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).