N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine

C14H20BrN — CID 167231736

IUPACN-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NCc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-11(9-14(2,3)4)16-10-12-5-7-13(15)8-6-12/h5-8,16H,1,9-10H2,2-4H3
InChIKeyDDKBXRMKEWHUEW-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.49
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine

N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine (PubChem CID 167231736) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine
PubChem CID167231736
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NCc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-11(9-14(2,3)4)16-10-12-5-7-13(15)8-6-12/h5-8,16H,1,9-10H2,2-4H3
InChIKeyDDKBXRMKEWHUEW-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
5-[(4-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934888
4,4-dimethyl-N-[[10-(methylaminomethyl)anthracen-9-yl]methyl]pent-1-en-2-amine;molecular hydrogen
CID 143489836
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
4-[(4-bromophenyl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299830
2-[(4-bromophenyl)methylamino]-2-oxoacetic acid;ethane
CID 145068790
1-[(4-bromophenyl)methyl]-3-ethylthiourea
CID 115617009
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
1-[(4-bromophenyl)methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111977591
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
CID 79810288

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine (CID 167231736) is N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine is C=C(CC(C)(C)C)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine?
The InChIKey is DDKBXRMKEWHUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(9-14(2,3)4)16-10-12-5-7-13(15)8-6-12/h5-8,16H,1,9-10H2,2-4H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine?
N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine has a molecular weight of 282.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 167231736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).