N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

C14H19Cl2N — CID 62594601

IUPACN-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-13(2,3)17-9-14(6-7-14)10-4-5-11(15)12(16)8-10/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyDQARJBDKIQZHPQ-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.41
Rot. Bonds3

About N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 62594601) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID62594601
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-13(2,3)17-9-14(6-7-14)10-4-5-11(15)12(16)8-10/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyDQARJBDKIQZHPQ-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (CID 62594601) is N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DQARJBDKIQZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-13(2,3)17-9-14(6-7-14)10-4-5-11(15)12(16)8-10/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62594601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).