1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine

C18H27BrN2 — CID 64624223

IUPAC1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccccc1Br)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C18H27BrN2/c1-21(12-16-5-2-3-7-17(16)19)18(13-20)10-4-6-15(11-18)14-8-9-14/h2-3,5,7,14-15H,4,6,8-13,20H2,1H3
InChIKeyVHUDYENNJNUNGD-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.18
Rot. Bonds5

About 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine (PubChem CID 64624223) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
PubChem CID64624223
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
SMILESCN(Cc1ccccc1Br)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C18H27BrN2/c1-21(12-16-5-2-3-7-17(16)19)18(13-20)10-4-6-15(11-18)14-8-9-14/h2-3,5,7,14-15H,4,6,8-13,20H2,1H3
InChIKeyVHUDYENNJNUNGD-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752250
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64623184
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
CID 64622975
1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 64624835
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
CID 65384703
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
1-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 43564069
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine (CID 64624223) is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine is CN(Cc1ccccc1Br)C1(CN)CCCC(C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
The InChIKey is VHUDYENNJNUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-21(12-16-5-2-3-7-17(16)19)18(13-20)10-4-6-15(11-18)14-8-9-14/h2-3,5,7,14-15H,4,6,8-13,20H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine has a molecular weight of 351.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64624223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).