(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine

C16H24BrN — CID 58458206

IUPAC(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
SMILESC=C(C(C)C)[C@H](CNC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-11(2)13(5)16(10-18-12(3)4)14-6-8-15(17)9-7-14/h6-9,11-12,16,18H,5,10H2,1-4H3/t16-/m0/s1
InChIKeyGYDQDEGIULYVKL-INIZCTEOSA-N
MW310.28 g/mol
LogP4.74
Rot. Bonds6

About (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine

(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine (PubChem CID 58458206) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
PubChem CID58458206
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
SMILESC=C(C(C)C)[C@H](CNC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrN/c1-11(2)13(5)16(10-18-12(3)4)14-6-8-15(17)9-7-14/h6-9,11-12,16,18H,5,10H2,1-4H3/t16-/m0/s1
InChIKeyGYDQDEGIULYVKL-INIZCTEOSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-bromophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one
CID 59671117
2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458351
2-(4-chlorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458215
(4R)-4-(4-bromophenyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one
CID 59670771
2-(4-methylphenyl)-1-N-propan-2-ylbut-3-ene-1,3-diamine
CID 89000384
(2S)-2-(4-bromophenyl)-N,N-bis(cyclopropylmethyl)-4-methyl-3-methylidenepentan-1-amine
CID 58458195
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466
(2S)-2-(4-chlorophenyl)-N-(2-fluoroethyl)-4-methyl-3-methylidenepentan-1-amine
CID 87141524
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
2-(4-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 62454236
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81359638

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
The IUPAC name of (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine (CID 58458206) is (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine is C=C(C(C)C)[C@H](CNC(C)C)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
The InChIKey is GYDQDEGIULYVKL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11(2)13(5)16(10-18-12(3)4)14-6-8-15(17)9-7-14/h6-9,11-12,16,18H,5,10H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine?
(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 58458206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).