2-chloro-N-(5-methylheptan-3-yl)aniline

C14H22ClN — CID 43095365

IUPAC2-chloro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-4-11(3)10-12(5-2)16-14-9-7-6-8-13(14)15/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyCMSWDVUJQJYIRE-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.97
Rot. Bonds6

About 2-chloro-N-(5-methylheptan-3-yl)aniline

2-chloro-N-(5-methylheptan-3-yl)aniline (PubChem CID 43095365) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 2-chloro-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-(5-methylheptan-3-yl)aniline
PubChem CID43095365
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name2-chloro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-4-11(3)10-12(5-2)16-14-9-7-6-8-13(14)15/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyCMSWDVUJQJYIRE-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-N-heptan-4-ylaniline
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4-chloro-N-(5-methylheptan-3-yl)aniline
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N-methyl-2-[2-(5-methylheptan-3-ylamino)phenyl]acetamide
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4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2-chloro-N-(5-methylheptan-3-yl)aniline (CID 43095365) is 2-chloro-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2-chloro-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2-chloro-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-methylheptan-3-yl)aniline?
The InChIKey is CMSWDVUJQJYIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-11(3)10-12(5-2)16-14-9-7-6-8-13(14)15/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of 2-chloro-N-(5-methylheptan-3-yl)aniline?
2-chloro-N-(5-methylheptan-3-yl)aniline has a molecular weight of 239.79 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 43095365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).