N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

C14H20ClN — CID 115215476

IUPACN-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(CCCCl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20ClN/c1-16(10-4-9-15)14-8-7-12-5-2-3-6-13(12)11-14/h7-8,11H,2-6,9-10H2,1H3
InChIKeyRCMXVDNGUGRKHG-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.63
Rot. Bonds4

About N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 115215476) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID115215476
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(CCCCl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20ClN/c1-16(10-4-9-15)14-8-7-12-5-2-3-6-13(12)11-14/h7-8,11H,2-6,9-10H2,1H3
InChIKeyRCMXVDNGUGRKHG-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propane-1-thiol
CID 115224698
N-ethyl-N'-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115205672
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115215508
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987164
2,2-dimethyl-3-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 115136462

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 115215476) is N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is CN(CCCCl)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is RCMXVDNGUGRKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-16(10-4-9-15)14-8-7-12-5-2-3-6-13(12)11-14/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 237.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115215476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).