1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine

C14H20ClN — CID 83154402

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
SMILESCc1cc(Cl)c(C(N)C(C)C2CC2)cc1C
InChIInChI=1S/C14H20ClN/c1-8-6-12(13(15)7-9(8)2)14(16)10(3)11-4-5-11/h6-7,10-11,14H,4-5,16H2,1-3H3
InChIKeyYHEWUGDPVYUPPY-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine

1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine (PubChem CID 83154402) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
PubChem CID83154402
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
SMILESCc1cc(Cl)c(C(N)C(C)C2CC2)cc1C
InChIInChI=1S/C14H20ClN/c1-8-6-12(13(15)7-9(8)2)14(16)10(3)11-4-5-11/h6-7,10-11,14H,4-5,16H2,1-3H3
InChIKeyYHEWUGDPVYUPPY-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990610
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine (CID 83154402) is 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine is Cc1cc(Cl)c(C(N)C(C)C2CC2)cc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine?
The InChIKey is YHEWUGDPVYUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-8-6-12(13(15)7-9(8)2)14(16)10(3)11-4-5-11/h6-7,10-11,14H,4-5,16H2,1-3H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine?
1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 83154402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).