N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine

C17H20ClNO — CID 60888087

IUPACN-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(OC/C=C/Cl)ccc2ccccc12
InChIInChI=1S/C17H20ClNO/c1-13(2)19-12-16-15-7-4-3-6-14(15)8-9-17(16)20-11-5-10-18/h3-10,13,19H,11-12H2,1-2H3/b10-5+
InChIKeyWUUBOPHOMRAUEG-BJMVGYQFSA-N
MW289.81 g/mol
LogP4.47
Rot. Bonds6

About N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine

N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine (PubChem CID 60888087) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine
PubChem CID60888087
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(OC/C=C/Cl)ccc2ccccc12
InChIInChI=1S/C17H20ClNO/c1-13(2)19-12-16-15-7-4-3-6-14(15)8-9-17(16)20-11-5-10-18/h3-10,13,19H,11-12H2,1-2H3/b10-5+
InChIKeyWUUBOPHOMRAUEG-BJMVGYQFSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
CID 43505572
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]-N-methylethanamine
CID 60888647
N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
N-[1-[1-[(E)-3-chloroprop-2-enoxy]naphthalen-2-yl]ethyl]cyclopropanamine
CID 60888648
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine
CID 76995835

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine (CID 60888087) is N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine is CC(C)NCc1c(OC/C=C/Cl)ccc2ccccc12.
What is the InChIKey of N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine?
The InChIKey is WUUBOPHOMRAUEG-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(2)19-12-16-15-7-4-3-6-14(15)8-9-17(16)20-11-5-10-18/h3-10,13,19H,11-12H2,1-2H3/b10-5+.
What are the key properties of N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine?
N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 60888087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).