1-(4-bromophenyl)-N-ethoxymethanamine

C9H12BrNO — CID 60702671

IUPAC1-(4-bromophenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyGQMMVPZXZODUSM-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-bromophenyl)-N-ethoxymethanamine

1-(4-bromophenyl)-N-ethoxymethanamine (PubChem CID 60702671) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethoxymethanamine
PubChem CID60702671
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-(4-bromophenyl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyGQMMVPZXZODUSM-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712089
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
CID 82709759
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
N-ethoxy-1-naphthalen-2-ylmethanamine
CID 53308535
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
N-ethoxy-1-(furan-3-yl)methanamine
CID 82709352
N-ethoxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 115685988
1-(4-bromophenyl)-N-ethoxypropan-1-amine
CID 80712261
1-bromo-4-ethylbenzene
CID 15313
N-[(4-bromophenyl)methyl]-3,3-diethoxypropan-1-amine
CID 81094168

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-ethoxymethanamine (CID 60702671) is 1-(4-bromophenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethoxymethanamine is CCONCc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethoxymethanamine?
The InChIKey is GQMMVPZXZODUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-12-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethoxymethanamine?
1-(4-bromophenyl)-N-ethoxymethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethoxymethanamine is sourced from PubChem (CID 60702671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).