N-(6-chlorohexyl)-3-methoxy-N-methylaniline

C14H22ClNO — CID 62227835

IUPACN-(6-chlorohexyl)-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)CCCCCCCl)c1
InChIInChI=1S/C14H22ClNO/c1-16(11-6-4-3-5-10-15)13-8-7-9-14(12-13)17-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyOPNNNVSOESAVIL-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.93
Rot. Bonds8

About N-(6-chlorohexyl)-3-methoxy-N-methylaniline

N-(6-chlorohexyl)-3-methoxy-N-methylaniline (PubChem CID 62227835) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-(6-chlorohexyl)-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(6-chlorohexyl)-3-methoxy-N-methylaniline
PubChem CID62227835
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-(6-chlorohexyl)-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)CCCCCCCl)c1
InChIInChI=1S/C14H22ClNO/c1-16(11-6-4-3-5-10-15)13-8-7-9-14(12-13)17-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyOPNNNVSOESAVIL-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
4-(3-methoxy-N-methylanilino)butanehydrazide
CID 63583591
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
CID 62213434
1-[3-(3-methoxy-N-methylanilino)propyl]pyrazol-3-amine
CID 63310356
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880
3-methoxy-N,N-disilylaniline
CID 149149494
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-3-methoxy-N-methylaniline?
The IUPAC name of N-(6-chlorohexyl)-3-methoxy-N-methylaniline (CID 62227835) is N-(6-chlorohexyl)-3-methoxy-N-methylaniline.
What is the SMILES notation for N-(6-chlorohexyl)-3-methoxy-N-methylaniline?
The canonical SMILES for N-(6-chlorohexyl)-3-methoxy-N-methylaniline is COc1cccc(N(C)CCCCCCCl)c1.
What is the InChIKey of N-(6-chlorohexyl)-3-methoxy-N-methylaniline?
The InChIKey is OPNNNVSOESAVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-16(11-6-4-3-5-10-15)13-8-7-9-14(12-13)17-2/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of N-(6-chlorohexyl)-3-methoxy-N-methylaniline?
N-(6-chlorohexyl)-3-methoxy-N-methylaniline has a molecular weight of 255.79 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-3-methoxy-N-methylaniline is sourced from PubChem (CID 62227835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).