(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine

C22H23BrN2 — CID 143099574

IUPAC(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
SMILESN/C(=C\Cc1cccc(Br)c1)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C15H14BrN.C7H9N/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13;8-6-7-4-2-1-3-5-7/h1-8,10-11H,9,17H2;1-5H,6,8H2/b15-10-;
InChIKeyWAKYMSAHTTVWAP-AZJSCORLSA-N
MW395.34 g/mol
LogP5.14
Rot. Bonds4

About (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine

(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine (PubChem CID 143099574) has the molecular formula C22H23BrN2 and a molecular weight of 395.34 g/mol. Its IUPAC name is (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine.

Molecular Properties

Compound Name(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
PubChem CID143099574
Molecular FormulaC22H23BrN2
Molecular Weight395.34 g/mol
Exact Mass394.10
IUPAC Name(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
SMILESN/C(=C\Cc1cccc(Br)c1)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C15H14BrN.C7H9N/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13;8-6-7-4-2-1-3-5-7/h1-8,10-11H,9,17H2;1-5H,6,8H2/b15-10-;
InChIKeyWAKYMSAHTTVWAP-AZJSCORLSA-N
XLogP5.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-(3-bromophenyl)-1-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-1-amine;phenylmethanamine
CID 143099593
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
5-(3-bromophenyl)pent-3-en-1-amine
CID 79591544
phenylmethanamine
CID 19864074
4-[4-(aminomethyl)phenyl]-2-phenylbut-2-enal
CID 174557828
(2E,4Z)-1-(3-bromophenyl)-6-phenylhexa-2,4-dien-1-one
CID 139259982
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
benzenecarboximidamide;(Z)-1-[4-(8-methylnaphthalen-1-yl)phenyl]-3-phenylprop-1-en-1-amine;phenylmethanamine
CID 142425010
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine?
The IUPAC name of (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine (CID 143099574) is (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine.
What is the SMILES notation for (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine?
The canonical SMILES for (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine is N/C(=C\Cc1cccc(Br)c1)c1ccccc1.NCc1ccccc1.
What is the InChIKey of (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine?
The InChIKey is WAKYMSAHTTVWAP-AZJSCORLSA-N. The full InChI is InChI=1S/C15H14BrN.C7H9N/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13;8-6-7-4-2-1-3-5-7/h1-8,10-11H,9,17H2;1-5H,6,8H2/b15-10-;.
What are the key properties of (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine?
(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine has a molecular weight of 395.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine is sourced from PubChem (CID 143099574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).