5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline

C15H23BrN2 — CID 79713598

IUPAC5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline
SMILESCC1(C)C(CNCc2ccc(Br)cc2N)C1(C)C
InChIInChI=1S/C15H23BrN2/c1-14(2)13(15(14,3)4)9-18-8-10-5-6-11(16)7-12(10)17/h5-7,13,18H,8-9,17H2,1-4H3
InChIKeyNQXOHVCOVSRSRE-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.80
Rot. Bonds4

About 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline

5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline (PubChem CID 79713598) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline
PubChem CID79713598
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline
SMILESCC1(C)C(CNCc2ccc(Br)cc2N)C1(C)C
InChIInChI=1S/C15H23BrN2/c1-14(2)13(15(14,3)4)9-18-8-10-5-6-11(16)7-12(10)17/h5-7,13,18H,8-9,17H2,1-4H3
InChIKeyNQXOHVCOVSRSRE-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(7-methyloctylamino)methyl]aniline
CID 107815766
5-bromo-2-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137152
5-bromo-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293884
3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79357949
5-bromo-2-[(2,4,4-trimethylpentan-2-ylamino)methyl]aniline
CID 79712891
5-bromo-2-[(heptan-2-ylamino)methyl]aniline
CID 79713483
5-bromo-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
CID 106219106
2-(3-aminopropyl)-5-bromoaniline
CID 53434170
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351650
5-bromo-2-(cyclopropylmethyl)aniline
CID 105483648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline?
The IUPAC name of 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline (CID 79713598) is 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline.
What is the SMILES notation for 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline?
The canonical SMILES for 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline is CC1(C)C(CNCc2ccc(Br)cc2N)C1(C)C.
What is the InChIKey of 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline?
The InChIKey is NQXOHVCOVSRSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-14(2)13(15(14,3)4)9-18-8-10-5-6-11(16)7-12(10)17/h5-7,13,18H,8-9,17H2,1-4H3.
What are the key properties of 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline?
5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline has a molecular weight of 311.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]aniline is sourced from PubChem (CID 79713598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).