1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C15H21Br — CID 79308414

IUPAC1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCCC(Br)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C15H21Br/c1-4-14(16)12-9-10-15(2,3)13-8-6-5-7-11(12)13/h5-8,12,14H,4,9-10H2,1-3H3
InChIKeySFTDJILELDOCBS-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.02
Rot. Bonds2

About 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene

1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 79308414) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID79308414
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCCC(Br)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C15H21Br/c1-4-14(16)12-9-10-15(2,3)13-8-6-5-7-11(12)13/h5-8,12,14H,4,9-10H2,1-3H3
InChIKeySFTDJILELDOCBS-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanol
CID 66436316
4,4-dimethyl-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63455822
(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
CID 43316841
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
CID 83047721
N-(2,2-difluoroethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 113303571
4,4-dimethyl-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63453924
(2R)-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 114985663
1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene
CID 83069594
N'-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N'-ethylethane-1,2-diamine
CID 114231049
N-(1-methoxypropan-2-yl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147335
1-cyclopropyl-2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]ethanol
CID 63294204

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 79308414) is 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CCC(Br)C1CCC(C)(C)c2ccccc21.
What is the InChIKey of 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is SFTDJILELDOCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-4-14(16)12-9-10-15(2,3)13-8-6-5-7-11(12)13/h5-8,12,14H,4,9-10H2,1-3H3.
What are the key properties of 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 281.24 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 79308414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).