1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride

C11H17Cl2NO — CID 132843394

IUPAC1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCCCOc1ccc(CNC)cc1Cl.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-3-6-14-11-5-4-9(8-13-2)7-10(11)12;/h4-5,7,13H,3,6,8H2,1-2H3;1H
InChIKeyOTSGMSBNULMDQN-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.27
Rot. Bonds5

About 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride

1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride (PubChem CID 132843394) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
PubChem CID132843394
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCCCOc1ccc(CNC)cc1Cl.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-3-6-14-11-5-4-9(8-13-2)7-10(11)12;/h4-5,7,13H,3,6,8H2,1-2H3;1H
InChIKeyOTSGMSBNULMDQN-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-chloro-4-propoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 29241360
1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 62936941
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
2-chloro-1-propoxy-4-propylbenzene;ethane
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1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
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4-[2-chloro-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63889885
3-chloro-N-[(3-chloro-4-propoxyphenyl)methyl]-2-methylaniline
CID 126144223
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride (CID 132843394) is 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride is CCCOc1ccc(CNC)cc1Cl.Cl.
What is the InChIKey of 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is OTSGMSBNULMDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/c1-3-6-14-11-5-4-9(8-13-2)7-10(11)12;/h4-5,7,13H,3,6,8H2,1-2H3;1H.
What are the key properties of 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride?
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 132843394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).