N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine

C16H24ClN — CID 114229819

IUPACN-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C16H24ClN/c1-11(2)9-18-10-14-15(16(14,3)4)12-6-5-7-13(17)8-12/h5-8,11,14-15,18H,9-10H2,1-4H3
InChIKeyFCPDPOXLMLVHHN-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.33
Rot. Bonds5

About N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114229819) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114229819
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C16H24ClN/c1-11(2)9-18-10-14-15(16(14,3)4)12-6-5-7-13(17)8-12/h5-8,11,14-15,18H,9-10H2,1-4H3
InChIKeyFCPDPOXLMLVHHN-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
CID 114229873
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
1-[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 20778842
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033962
3-(3-chlorophenyl)-2,2,4-trimethyl-N-propylcyclobutan-1-amine
CID 81422325
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
3-N-[(3-chlorophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012842
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
3-(3-chlorophenyl)-N,2-diethyl-2,4-dimethylcyclobutan-1-amine
CID 81421942
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine (CID 114229819) is N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1C(c2cccc(Cl)c2)C1(C)C.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FCPDPOXLMLVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11(2)9-18-10-14-15(16(14,3)4)12-6-5-7-13(17)8-12/h5-8,11,14-15,18H,9-10H2,1-4H3.
What are the key properties of N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114229819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).