1-(2-chlorophenyl)-N-methylundecan-2-amine

C18H30ClN — CID 63415015

IUPAC1-(2-chlorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ccccc1Cl)NC
InChIInChI=1S/C18H30ClN/c1-3-4-5-6-7-8-9-13-17(20-2)15-16-12-10-11-14-18(16)19/h10-12,14,17,20H,3-9,13,15H2,1-2H3
InChIKeyDWOGEYITKJSRIU-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.61
Rot. Bonds11

About 1-(2-chlorophenyl)-N-methylundecan-2-amine

1-(2-chlorophenyl)-N-methylundecan-2-amine (PubChem CID 63415015) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methylundecan-2-amine
PubChem CID63415015
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name1-(2-chlorophenyl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ccccc1Cl)NC
InChIInChI=1S/C18H30ClN/c1-3-4-5-6-7-8-9-13-17(20-2)15-16-12-10-11-14-18(16)19/h10-12,14,17,20H,3-9,13,15H2,1-2H3
InChIKeyDWOGEYITKJSRIU-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.61
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

1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(3-chloro-2-fluorophenyl)-N-methylundecan-2-amine
CID 82789169
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(2,3-dichlorophenyl)undecan-2-ylhydrazine
CID 107312866
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methylundecan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methylundecan-2-amine (CID 63415015) is 1-(2-chlorophenyl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1ccccc1Cl)NC.
What is the InChIKey of 1-(2-chlorophenyl)-N-methylundecan-2-amine?
The InChIKey is DWOGEYITKJSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-3-4-5-6-7-8-9-13-17(20-2)15-16-12-10-11-14-18(16)19/h10-12,14,17,20H,3-9,13,15H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methylundecan-2-amine?
1-(2-chlorophenyl)-N-methylundecan-2-amine has a molecular weight of 295.90 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methylundecan-2-amine is sourced from PubChem (CID 63415015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).