1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine

C11H14ClN — CID 66160497

IUPAC1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1C1CC1
InChIInChI=1S/C11H14ClN/c1-13-7-9-6-10(12)4-5-11(9)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyXKFUNDPHOQQURG-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine

1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine (PubChem CID 66160497) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine
PubChem CID66160497
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1C1CC1
InChIInChI=1S/C11H14ClN/c1-13-7-9-6-10(12)4-5-11(9)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3
InChIKeyXKFUNDPHOQQURG-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
CID 116506610
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
2,4-dichloro-N-[(2-cyclopropylphenyl)methyl]aniline
CID 79979680
1-[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865010
1-[4-chloro-2-(oxetan-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114865006
1-[2-[4-[2-(4-chlorophenyl)ethylidene]cyclohexyl]phenyl]-N-methylmethanamine
CID 142942253
4-chloro-N-(2,2-dimethylpropyl)-N-[4-[4-(3-hydroxypropyl)-2-(methylaminomethyl)phenyl]cyclohexyl]benzamide
CID 67809705
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
N-[(5-chloro-2-fluorophenyl)methyl]-1,1,1-trideuteriomethanamine
CID 177195909
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine (CID 66160497) is 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine is CNCc1cc(Cl)ccc1C1CC1.
What is the InChIKey of 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine?
The InChIKey is XKFUNDPHOQQURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-13-7-9-6-10(12)4-5-11(9)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine?
1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine has a molecular weight of 195.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyclopropylphenyl)-N-methylmethanamine is sourced from PubChem (CID 66160497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).