N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine

C14H20BrN — CID 104819486

IUPACN-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNCC(c1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H20BrN/c1-2-8-16-10-14(11-6-7-11)12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,2,6-8,10H2,1H3
InChIKeyOJRRXLWBJXFCGY-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine

N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine (PubChem CID 104819486) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
PubChem CID104819486
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNCC(c1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H20BrN/c1-2-8-16-10-14(11-6-7-11)12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,2,6-8,10H2,1H3
InChIKeyOJRRXLWBJXFCGY-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
N-[2-cyclopentyl-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 82925286
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813
2-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)ethanamine
CID 79431152
2-(3-bromophenyl)-2-(thian-4-yl)ethanamine
CID 83975336
N-[2-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]-2-methylpropan-1-amine
CID 79430224
N-[2-(3-bromophenyl)-2-butan-2-yloxyethyl]propan-1-amine
CID 55036561
3-(3-bromophenyl)-3-cyclobutylpropanal
CID 115049694
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 104819492
N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine (CID 104819486) is N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine is CCCNCC(c1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine?
The InChIKey is OJRRXLWBJXFCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-8-16-10-14(11-6-7-11)12-4-3-5-13(15)9-12/h3-5,9,11,14,16H,2,6-8,10H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine?
N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 104819486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).