1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine

C12H16ClN — CID 66024867

IUPAC1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN/c1-14-9-12(5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7,14H,5-6,8-9H2,1H3
InChIKeyAZSKYKHVSUSVLF-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine

1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine (PubChem CID 66024867) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
PubChem CID66024867
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN/c1-14-9-12(5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7,14H,5-6,8-9H2,1H3
InChIKeyAZSKYKHVSUSVLF-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122098622
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
3-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylcarbamoylamino]propanoic acid
CID 122017314
1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 116929052
1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
CID 63501769
3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
CID 122035324
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine (CID 66024867) is 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine is CNCC1(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine?
The InChIKey is AZSKYKHVSUSVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-14-9-12(5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7,14H,5-6,8-9H2,1H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine?
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine has a molecular weight of 209.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 66024867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).