1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine

C14H21BrN2 — CID 115257165

IUPAC1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
SMILESCC(C)(CNCC1(N)CC1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-13(2,9-17-10-14(16)7-8-14)11-5-3-4-6-12(11)15/h3-6,17H,7-10,16H2,1-2H3
InChIKeySIDBRENYJNSGDH-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.81
Rot. Bonds5

About 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine

1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine (PubChem CID 115257165) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
PubChem CID115257165
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
SMILESCC(C)(CNCC1(N)CC1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-13(2,9-17-10-14(16)7-8-14)11-5-3-4-6-12(11)15/h3-6,17H,7-10,16H2,1-2H3
InChIKeySIDBRENYJNSGDH-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257132
1-N-[2-(2-bromophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222592
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257137
1-[[(2-methyl-2-naphthalen-2-ylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257167
2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210084
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
2-N-[2-(2-bromophenyl)-2-methylpropyl]-3-methylbenzene-1,2-diamine
CID 115126193
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
CID 115257108
2-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254745
N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158174
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine (CID 115257165) is 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine is CC(C)(CNCC1(N)CC1)c1ccccc1Br.
What is the InChIKey of 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
The InChIKey is SIDBRENYJNSGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-13(2,9-17-10-14(16)7-8-14)11-5-3-4-6-12(11)15/h3-6,17H,7-10,16H2,1-2H3.
What are the key properties of 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine?
1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-bromophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).