(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide

C21H28N2 — CID 6984096

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
SMILESCC(C)Cc1ccc([C@H](C)/C(N)=N/CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23)/t17-/m0/s1
InChIKeyWCVBRQCZDPBUIL-KRWDZBQOSA-N
MW308.47 g/mol
LogP4.59
Rot. Bonds7

About (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide

(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide (PubChem CID 6984096) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
PubChem CID6984096
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
SMILESCC(C)Cc1ccc([C@H](C)/C(N)=N/CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23)/t17-/m0/s1
InChIKeyWCVBRQCZDPBUIL-KRWDZBQOSA-N
XLogP4.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
(2R)-N'-[3-(diethylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 92833235
(2S)-N'-methyl-2-[4-(2-methylpropyl)phenyl]propanimidamide;hydrochloride
CID 67369642
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
CID 6341030
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
[(2R)-1-amino-2-[4-(2-methylpropyl)phenyl]propylidene]azanium
CID 6340999
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
ethane;2-methylpropylbenzene
CID 162200929
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
CID 175760114
CID 175760114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide (CID 6984096) is (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide is CC(C)Cc1ccc([C@H](C)/C(N)=N/CCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide?
The InChIKey is WCVBRQCZDPBUIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide?
(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide has a molecular weight of 308.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide is sourced from PubChem (CID 6984096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).