1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine

C18H27BrN2 — CID 63404089

IUPAC1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H27BrN2/c1-14(20)17(15-6-2-3-7-16(15)19)21-12-10-18(11-13-21)8-4-5-9-18/h2-3,6-7,14,17H,4-5,8-13,20H2,1H3
InChIKeyYEFSDMGDWHNKHN-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.49
Rot. Bonds3

About 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine

1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine (PubChem CID 63404089) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
PubChem CID63404089
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H27BrN2/c1-14(20)17(15-6-2-3-7-16(15)19)21-12-10-18(11-13-21)8-4-5-9-18/h2-3,6-7,14,17H,4-5,8-13,20H2,1H3
InChIKeyYEFSDMGDWHNKHN-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
1-(3-Bromobenzyl)piperazine
CID 876852
N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057
N-[(3-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166634581
N-(2-bromobenzyl)propan-2-amine
CID 11988160

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine (CID 63404089) is 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine is CC(N)C(c1ccccc1Br)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
The InChIKey is YEFSDMGDWHNKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(20)17(15-6-2-3-7-16(15)19)21-12-10-18(11-13-21)8-4-5-9-18/h2-3,6-7,14,17H,4-5,8-13,20H2,1H3.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine has a molecular weight of 351.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine is sourced from PubChem (CID 63404089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).