N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine

C15H20BrN — CID 80669807

IUPACN-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
SMILESBrCCN(Cc1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C15H20BrN/c16-8-9-17(15-6-7-15)11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,15H,1-3,6-9,11H2
InChIKeyVOTWUGNSMSRCEB-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.53
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine

N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine (PubChem CID 80669807) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
PubChem CID80669807
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
SMILESBrCCN(Cc1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C15H20BrN/c16-8-9-17(15-6-7-15)11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,15H,1-3,6-9,11H2
InChIKeyVOTWUGNSMSRCEB-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-(2-bromoethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopropanamine
CID 80670003
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032
N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
CID 80674380
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
CID 80669109
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
4-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115150200
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 102878934
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-propylcyclopropanamine
CID 43270522
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
CID 103998191

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine (CID 80669807) is N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine is BrCCN(Cc1ccc2c(c1)CCC2)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine?
The InChIKey is VOTWUGNSMSRCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-8-9-17(15-6-7-15)11-12-4-5-13-2-1-3-14(13)10-12/h4-5,10,15H,1-3,6-9,11H2.
What are the key properties of N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine?
N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine has a molecular weight of 294.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine is sourced from PubChem (CID 80669807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).