N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline

C16H23BrN2 — CID 65384703

IUPACN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
SMILESNCC1(Nc2ccccc2Br)CCCC(C2CC2)C1
InChIInChI=1S/C16H23BrN2/c17-14-5-1-2-6-15(14)19-16(11-18)9-3-4-13(10-16)12-7-8-12/h1-2,5-6,12-13,19H,3-4,7-11,18H2
InChIKeyZMUUZIIUYOYMEC-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.16
Rot. Bonds4

About N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline

N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline (PubChem CID 65384703) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
PubChem CID65384703
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC NameN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
SMILESNCC1(Nc2ccccc2Br)CCCC(C2CC2)C1
InChIInChI=1S/C16H23BrN2/c17-14-5-1-2-6-15(14)19-16(11-18)9-3-4-13(10-16)12-7-8-12/h1-2,5-6,12-13,19H,3-4,7-11,18H2
InChIKeyZMUUZIIUYOYMEC-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline?
The IUPAC name of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline (CID 65384703) is N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline is NCC1(Nc2ccccc2Br)CCCC(C2CC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline?
The InChIKey is ZMUUZIIUYOYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-14-5-1-2-6-15(14)19-16(11-18)9-3-4-13(10-16)12-7-8-12/h1-2,5-6,12-13,19H,3-4,7-11,18H2.
What are the key properties of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline?
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline has a molecular weight of 323.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline is sourced from PubChem (CID 65384703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).