3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine

C11H16ClNO — CID 117304754

IUPAC3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cc(Cl)ccc1CCCN
InChIInChI=1S/C11H16ClNO/c1-14-8-10-7-11(12)5-4-9(10)3-2-6-13/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyWPQPZQPDCZOMTE-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.38
Rot. Bonds5

About 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine

3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 117304754) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
PubChem CID117304754
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1cc(Cl)ccc1CCCN
InChIInChI=1S/C11H16ClNO/c1-14-8-10-7-11(12)5-4-9(10)3-2-6-13/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyWPQPZQPDCZOMTE-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
4-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117366824
ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate
CID 156502828
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
4-(2,5-dichloro-3-methoxyphenyl)butan-1-amine
CID 117372775
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
4-(5-chloro-2-methylsulfanylphenyl)butan-1-amine
CID 117331778
3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170867838

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine (CID 117304754) is 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine is COCc1cc(Cl)ccc1CCCN.
What is the InChIKey of 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is WPQPZQPDCZOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-14-8-10-7-11(12)5-4-9(10)3-2-6-13/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine?
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117304754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).