1-(4-bromophenyl)-N-methylpent-4-yn-2-amine

C12H14BrN — CID 62234248

IUPAC1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
SMILESC#CCC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C12H14BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h1,5-8,12,14H,4,9H2,2H3
InChIKeyFTVHHNWNQZCWDS-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine

1-(4-bromophenyl)-N-methylpent-4-yn-2-amine (PubChem CID 62234248) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
PubChem CID62234248
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
SMILESC#CCC(Cc1ccc(Br)cc1)NC
InChIInChI=1S/C12H14BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h1,5-8,12,14H,4,9H2,2H3
InChIKeyFTVHHNWNQZCWDS-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62235146
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
1-(4-bromophenyl)pent-4-yn-2-amine
CID 62232609
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060
1-(4-methylphenyl)pent-4-yn-2-ylhydrazine
CID 105211357

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine (CID 62234248) is 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine is C#CCC(Cc1ccc(Br)cc1)NC.
What is the InChIKey of 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine?
The InChIKey is FTVHHNWNQZCWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-3-4-12(14-2)9-10-5-7-11(13)8-6-10/h1,5-8,12,14H,4,9H2,2H3.
What are the key properties of 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine?
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine has a molecular weight of 252.16 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methylpent-4-yn-2-amine is sourced from PubChem (CID 62234248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).