1-[(2-chlorophenyl)methyl]cyclopropan-1-amine

C10H12ClN — CID 23106132

IUPAC1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2Cl)CC1
InChIInChI=1S/C10H12ClN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyBUVVLDWPDIYTTK-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.37
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine

1-[(2-chlorophenyl)methyl]cyclopropan-1-amine (PubChem CID 23106132) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
PubChem CID23106132
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2Cl)CC1
InChIInChI=1S/C10H12ClN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyBUVVLDWPDIYTTK-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91658712
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CID 117405881
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082267
1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66035565
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
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CID 79331696
2-[(2-chlorophenyl)methyl]thiolane-2-carbonitrile
CID 83173466
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
1-[(2-phenylphenyl)methyl]cyclopropan-1-amine
CID 117320738
1-[(2,3-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107307766
1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64549560

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine (CID 23106132) is 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is BUVVLDWPDIYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine?
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 181.67 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 23106132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).