1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine

C11H16ClNO — CID 587978

IUPAC1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
SMILESCCOc1ccc(CN(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-4-14-11-6-5-9(7-10(11)12)8-13(2)3/h5-7H,4,8H2,1-3H3
InChIKeyXBUFMVSBFLLPTL-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine

1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 587978) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
PubChem CID587978
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
SMILESCCOc1ccc(CN(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-4-14-11-6-5-9(7-10(11)12)8-13(2)3/h5-7H,4,8H2,1-3H3
InChIKeyXBUFMVSBFLLPTL-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
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3-Chloro-4-(1-methylethoxy)benzenemethanamine
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2-(4-Butoxy-3-chloro-phenyl)-ethylamine hydrochloride
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2-(3-Chloro-4-isopropoxy-phenyl)-ethylamine
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4-(3-Chloro-4-pentyloxy-benzyl)-morpholine
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CID 12005616

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine (CID 587978) is 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine is CCOc1ccc(CN(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is XBUFMVSBFLLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-4-14-11-6-5-9(7-10(11)12)8-13(2)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine?
1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 587978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).