N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine

C17H29BrN2 — CID 63494839

IUPACN-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C17H29BrN2/c1-5-10-19-13-17(3,6-2)14-20(4)12-15-8-7-9-16(18)11-15/h7-9,11,19H,5-6,10,12-14H2,1-4H3
InChIKeySNTVYZVWTDISSW-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.30
Rot. Bonds9

About N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine

N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 63494839) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID63494839
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC NameN-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C17H29BrN2/c1-5-10-19-13-17(3,6-2)14-20(4)12-15-8-7-9-16(18)11-15/h7-9,11,19H,5-6,10,12-14H2,1-4H3
InChIKeySNTVYZVWTDISSW-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 55195865
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 63495152
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
methyl 3-[(3-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619783
2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62461288
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
1-N-[(3-bromophenyl)methyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487226
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N-benzyl-2,2-difluoro-N-methyl-N'-propylpropane-1,3-diamine
CID 165462183
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine (CID 63494839) is N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CC)CN(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is SNTVYZVWTDISSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-5-10-19-13-17(3,6-2)14-20(4)12-15-8-7-9-16(18)11-15/h7-9,11,19H,5-6,10,12-14H2,1-4H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine?
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63494839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).