1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine

C16H21Cl2N — CID 129388840

IUPAC1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine
SMILESC[C@]1(c2cccc(C3(N)CCCCC3)c2)CC1(Cl)Cl
InChIInChI=1S/C16H21Cl2N/c1-14(11-16(14,17)18)12-6-5-7-13(10-12)15(19)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11,19H2,1H3/t14-/m1/s1
InChIKeyCAEUCFSUVCWZKI-CQSZACIVSA-N
MW298.26 g/mol
LogP4.64
Rot. Bonds2

About 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine

1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine (PubChem CID 129388840) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine
PubChem CID129388840
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine
SMILESC[C@]1(c2cccc(C3(N)CCCCC3)c2)CC1(Cl)Cl
InChIInChI=1S/C16H21Cl2N/c1-14(11-16(14,17)18)12-6-5-7-13(10-12)15(19)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11,19H2,1H3/t14-/m1/s1
InChIKeyCAEUCFSUVCWZKI-CQSZACIVSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine (CID 129388840) is 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine is C[C@]1(c2cccc(C3(N)CCCCC3)c2)CC1(Cl)Cl.
What is the InChIKey of 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine?
The InChIKey is CAEUCFSUVCWZKI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21Cl2N/c1-14(11-16(14,17)18)12-6-5-7-13(10-12)15(19)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11,19H2,1H3/t14-/m1/s1.
What are the key properties of 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine?
1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine has a molecular weight of 298.26 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-2,2-dichloro-1-methylcyclopropyl]phenyl]cyclohexan-1-amine is sourced from PubChem (CID 129388840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).