[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol

C17H18BrNO — CID 84609425

IUPAC[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
SMILESNCC1(c2cccc(C(O)c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C17H18BrNO/c18-15-6-4-12(5-7-15)16(20)13-2-1-3-14(10-13)17(11-19)8-9-17/h1-7,10,16,20H,8-9,11,19H2
InChIKeyGFRFWZDFGRHJFX-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.52
Rot. Bonds4

About [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol

[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol (PubChem CID 84609425) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol.

Molecular Properties

Compound Name[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
PubChem CID84609425
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
SMILESNCC1(c2cccc(C(O)c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C17H18BrNO/c18-15-6-4-12(5-7-15)16(20)13-2-1-3-14(10-13)17(11-19)8-9-17/h1-7,10,16,20H,8-9,11,19H2
InChIKeyGFRFWZDFGRHJFX-UHFFFAOYSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol
CID 84609927
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
1-[4-[1-(aminomethyl)cyclopropyl]phenyl]ethane-1,2-diol
CID 117296074
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781

Frequently Asked Questions

What is the IUPAC name of [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol?
The IUPAC name of [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol (CID 84609425) is [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol.
What is the SMILES notation for [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol?
The canonical SMILES for [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol is NCC1(c2cccc(C(O)c3ccc(Br)cc3)c2)CC1.
What is the InChIKey of [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol?
The InChIKey is GFRFWZDFGRHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-15-6-4-12(5-7-15)16(20)13-2-1-3-14(10-13)17(11-19)8-9-17/h1-7,10,16,20H,8-9,11,19H2.
What are the key properties of [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol?
[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol has a molecular weight of 332.24 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol is sourced from PubChem (CID 84609425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).