N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride

C16H19Cl2N — CID 11971939

IUPACN-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride
SMILESC=CCN(CCCl)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-2-11-18(12-10-17)13-15-8-5-7-14-6-3-4-9-16(14)15;/h2-9H,1,10-13H2;1H
InChIKeyCSASSBPMEQLSJC-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.49
Rot. Bonds6

About N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride

N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride (PubChem CID 11971939) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride
PubChem CID11971939
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC NameN-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride
SMILESC=CCN(CCCl)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-2-11-18(12-10-17)13-15-8-5-7-14-6-3-4-9-16(14)15;/h2-9H,1,10-13H2;1H
InChIKeyCSASSBPMEQLSJC-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol
CID 10354914
2-[naphthalen-1-ylmethyl(2-sulfoethyl)amino]ethanesulfonic acid
CID 102280055
N,N'-dibenzyl-N,N'-bis(naphthalen-1-ylmethyl)but-2-ene-1,4-diamine
CID 72747626
disodium;2-[naphthalen-1-ylmethyl(2-sulfonatoethyl)amino]ethanesulfonate
CID 102280054
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
N-(naphthalen-1-ylmethyl)-N-phenylaniline
CID 11088172
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
2-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
CID 110175440
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
N-(anthracen-9-ylmethyl)-2-chloro-N-ethylethanamine;hydrochloride
CID 45356250

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride (CID 11971939) is N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride is C=CCN(CCCl)Cc1cccc2ccccc12.Cl.
What is the InChIKey of N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is CSASSBPMEQLSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c1-2-11-18(12-10-17)13-15-8-5-7-14-6-3-4-9-16(14)15;/h2-9H,1,10-13H2;1H.
What are the key properties of N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride?
N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 11971939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).