N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine

C14H22BrNO — CID 60749843

IUPACN-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-11(9-14(2,3)17-4)16-10-12-5-7-13(15)8-6-12/h5-8,11,16H,9-10H2,1-4H3
InChIKeyAYUHQJQKFRZHCB-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.74
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine

N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 60749843) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID60749843
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-11(9-14(2,3)17-4)16-10-12-5-7-13(15)8-6-12/h5-8,11,16H,9-10H2,1-4H3
InChIKeyAYUHQJQKFRZHCB-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197
N-[(4-bromophenyl)methyl]-4-methyl-4-(5-methylfuran-2-yl)pentan-2-amine
CID 2867749
N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 131951888
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
CID 18807565
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
formic acid;4-methoxy-4-methyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pentan-2-amine
CID 154907219
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 60749843) is N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is AYUHQJQKFRZHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-11(9-14(2,3)17-4)16-10-12-5-7-13(15)8-6-12/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine?
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 60749843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).