N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine

C13H17Cl2N — CID 79347868

IUPACN-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N/c1-10(2)9-16-8-4-5-11-12(14)6-3-7-13(11)15/h3-7,10,16H,8-9H2,1-2H3
InChIKeyJLJISYYEHBLGPN-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.25
Rot. Bonds5

About N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine

N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 79347868) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
PubChem CID79347868
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC NameN-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N/c1-10(2)9-16-8-4-5-11-12(14)6-3-7-13(11)15/h3-7,10,16H,8-9H2,1-2H3
InChIKeyJLJISYYEHBLGPN-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347750
3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039
N-[3-(3,5-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79348417
N-[(E)-3-[3-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 113329486
3-chloro-2-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473484
N-[3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-enyl]-2-methylpropan-1-amine
CID 79347427
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79426690
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79346871
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
(E)-4-(6-chloro-2,3-difluorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114275301

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine (CID 79347868) is N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine is CC(C)CNCC=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is JLJISYYEHBLGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-10(2)9-16-8-4-5-11-12(14)6-3-7-13(11)15/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine?
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79347868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).