1-(1-chloro-2-cyclopropylpropyl)naphthalene

C16H17Cl — CID 83148466

IUPAC1-(1-chloro-2-cyclopropylpropyl)naphthalene
SMILESCC(C1CC1)C(Cl)c1cccc2ccccc12
InChIInChI=1S/C16H17Cl/c1-11(12-9-10-12)16(17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16H,9-10H2,1H3
InChIKeyQSPJUMDSXFEHLV-UHFFFAOYSA-N
MW244.77 g/mol
LogP5.17
Rot. Bonds3

About 1-(1-chloro-2-cyclopropylpropyl)naphthalene

1-(1-chloro-2-cyclopropylpropyl)naphthalene (PubChem CID 83148466) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(1-chloro-2-cyclopropylpropyl)naphthalene.

Molecular Properties

Compound Name1-(1-chloro-2-cyclopropylpropyl)naphthalene
PubChem CID83148466
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name1-(1-chloro-2-cyclopropylpropyl)naphthalene
SMILESCC(C1CC1)C(Cl)c1cccc2ccccc12
InChIInChI=1S/C16H17Cl/c1-11(12-9-10-12)16(17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16H,9-10H2,1H3
InChIKeyQSPJUMDSXFEHLV-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
CID 107182429
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-cyclopropylpropyl)naphthalene?
The IUPAC name of 1-(1-chloro-2-cyclopropylpropyl)naphthalene (CID 83148466) is 1-(1-chloro-2-cyclopropylpropyl)naphthalene.
What is the SMILES notation for 1-(1-chloro-2-cyclopropylpropyl)naphthalene?
The canonical SMILES for 1-(1-chloro-2-cyclopropylpropyl)naphthalene is CC(C1CC1)C(Cl)c1cccc2ccccc12.
What is the InChIKey of 1-(1-chloro-2-cyclopropylpropyl)naphthalene?
The InChIKey is QSPJUMDSXFEHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11(12-9-10-12)16(17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11-12,16H,9-10H2,1H3.
What are the key properties of 1-(1-chloro-2-cyclopropylpropyl)naphthalene?
1-(1-chloro-2-cyclopropylpropyl)naphthalene has a molecular weight of 244.77 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-cyclopropylpropyl)naphthalene is sourced from PubChem (CID 83148466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).