1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine

C18H22N2 — CID 174680180

IUPAC1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine
SMILESCCC(N)(N)Cc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-2-18(19,20)14-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-13H,2,14,19-20H2,1H3
InChIKeyVMOZUQZGBBUCLQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine

1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine (PubChem CID 174680180) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine.

Molecular Properties

Compound Name1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine
PubChem CID174680180
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine
SMILESCCC(N)(N)Cc1ccccc1C=Cc1ccccc1
InChIInChI=1S/C18H22N2/c1-2-18(19,20)14-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-13H,2,14,19-20H2,1H3
InChIKeyVMOZUQZGBBUCLQ-UHFFFAOYSA-N
XLogP3.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
1-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 158078399
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one
CID 102380406
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2,3-diethyl-6-(2-phenylethenyl)aniline
CID 70441795
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
CID 141453206
N-ethyl-2-(2-phenylethenyl)aniline
CID 152532004
(4E,6E)-3-ethyl-7-phenylhepta-4,6-dien-3-amine
CID 10608725
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;1-ethyl-2-methylbenzene
CID 143322291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine?
The IUPAC name of 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine (CID 174680180) is 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine.
What is the SMILES notation for 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine?
The canonical SMILES for 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine is CCC(N)(N)Cc1ccccc1C=Cc1ccccc1.
What is the InChIKey of 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine?
The InChIKey is VMOZUQZGBBUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-18(19,20)14-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-13H,2,14,19-20H2,1H3.
What are the key properties of 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine?
1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine is sourced from PubChem (CID 174680180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).