N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine

C12H16BrN — CID 43488686

IUPACN-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H16BrN/c1-2-14-12(9-3-4-9)10-5-7-11(13)8-6-10/h5-9,12,14H,2-4H2,1H3
InChIKeyWYCZBKIECWBTEH-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.51
Rot. Bonds4

About N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine

N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine (PubChem CID 43488686) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
PubChem CID43488686
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H16BrN/c1-2-14-12(9-3-4-9)10-5-7-11(13)8-6-10/h5-9,12,14H,2-4H2,1H3
InChIKeyWYCZBKIECWBTEH-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
N-[(4-bromophenyl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104518569
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine (CID 43488686) is N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine is CCNC(c1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine?
The InChIKey is WYCZBKIECWBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-2-14-12(9-3-4-9)10-5-7-11(13)8-6-10/h5-9,12,14H,2-4H2,1H3.
What are the key properties of N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine?
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 43488686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).