N-[(2,4-dichlorophenyl)methyl]decan-1-amine

C17H27Cl2N — CID 20562210

IUPACN-[(2,4-dichlorophenyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H27Cl2N/c1-2-3-4-5-6-7-8-9-12-20-14-15-10-11-16(18)13-17(15)19/h10-11,13,20H,2-9,12,14H2,1H3
InChIKeyUZKVETGSPVOUPN-UHFFFAOYSA-N
MW316.32 g/mol
LogP6.22
Rot. Bonds11

About N-[(2,4-dichlorophenyl)methyl]decan-1-amine

N-[(2,4-dichlorophenyl)methyl]decan-1-amine (PubChem CID 20562210) has the molecular formula C17H27Cl2N and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]decan-1-amine
PubChem CID20562210
Molecular FormulaC17H27Cl2N
Molecular Weight316.32 g/mol
Exact Mass315.15
IUPAC NameN-[(2,4-dichlorophenyl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H27Cl2N/c1-2-3-4-5-6-7-8-9-12-20-14-15-10-11-16(18)13-17(15)19/h10-11,13,20H,2-9,12,14H2,1H3
InChIKeyUZKVETGSPVOUPN-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 56.22
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-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[(2,4-dichlorophenyl)methyl]heptan-1-amine;oxalic acid
CID 163328902
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66532640
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 4716899
N-[(5-chloro-2-nitrophenyl)methyl]hexan-1-amine
CID 78998811
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]decan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]decan-1-amine (CID 20562210) is N-[(2,4-dichlorophenyl)methyl]decan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]decan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]decan-1-amine is CCCCCCCCCCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]decan-1-amine?
The InChIKey is UZKVETGSPVOUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2N/c1-2-3-4-5-6-7-8-9-12-20-14-15-10-11-16(18)13-17(15)19/h10-11,13,20H,2-9,12,14H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]decan-1-amine?
N-[(2,4-dichlorophenyl)methyl]decan-1-amine has a molecular weight of 316.32 g/mol, XLogP of 6.22, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]decan-1-amine is sourced from PubChem (CID 20562210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).