1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine

C14H22ClNO2 — CID 113476446

IUPAC1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
SMILESCOc1ccc(OCCN(C)C(C)(C)CCl)cc1
InChIInChI=1S/C14H22ClNO2/c1-14(2,11-15)16(3)9-10-18-13-7-5-12(17-4)6-8-13/h5-8H,9-11H2,1-4H3
InChIKeyUQVSVUSKTLHJEY-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.02
Rot. Bonds7

About 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine

1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine (PubChem CID 113476446) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
PubChem CID113476446
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
SMILESCOc1ccc(OCCN(C)C(C)(C)CCl)cc1
InChIInChI=1S/C14H22ClNO2/c1-14(2,11-15)16(3)9-10-18-13-7-5-12(17-4)6-8-13/h5-8H,9-11H2,1-4H3
InChIKeyUQVSVUSKTLHJEY-UHFFFAOYSA-N
XLogP3.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[methyl(2-methylbutan-2-yl)amino]ethoxy]aniline
CID 63983501
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-bromo-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 80666794
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 107494368
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine (CID 113476446) is 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine is COc1ccc(OCCN(C)C(C)(C)CCl)cc1.
What is the InChIKey of 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine?
The InChIKey is UQVSVUSKTLHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-14(2,11-15)16(3)9-10-18-13-7-5-12(17-4)6-8-13/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine?
1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine has a molecular weight of 271.79 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 113476446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).