2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline

C26H30N2 — CID 139374410

IUPAC2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline
SMILESC=C(Cc1ccccc1NCCC)C(Nc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C26H30N2/c1-4-17-27-25-16-9-8-14-23(25)19-21(3)26(22-12-6-5-7-13-22)28-24-15-10-11-20(2)18-24/h5-16,18,26-28H,3-4,17,19H2,1-2H3
InChIKeyNTFKGNREFAQDRJ-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.77
Rot. Bonds9

About 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline

2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline (PubChem CID 139374410) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline.

Molecular Properties

Compound Name2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline
PubChem CID139374410
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline
SMILESC=C(Cc1ccccc1NCCC)C(Nc1cccc(C)c1)c1ccccc1
InChIInChI=1S/C26H30N2/c1-4-17-27-25-16-9-8-14-23(25)19-21(3)26(22-12-6-5-7-13-22)28-24-15-10-11-20(2)18-24/h5-16,18,26-28H,3-4,17,19H2,1-2H3
InChIKeyNTFKGNREFAQDRJ-UHFFFAOYSA-N
XLogP6.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
N-[2-(5-butyl-1H-indol-3-yl)-1-phenylprop-2-enyl]-3-methylaniline
CID 139374477
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-[2-(propylamino)phenyl]acetamide
CID 43738591
2-[2-[(3-methylanilino)methyl]phenyl]acetic acid
CID 115461361
(2R)-2-amino-N-[3-ethyl-4-(propylamino)phenyl]-2-phenylacetamide
CID 142270743
methyl 2-[(R)-anilino-(3-methylphenyl)methyl]prop-2-enoate
CID 132560929
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
N-butyl-3-methylaniline;phenol
CID 18006904
1-N-[(2-butylphenyl)methyl]-1-N'-(3-methylphenyl)ethane-1,1-diamine
CID 88761189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline?
The IUPAC name of 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline (CID 139374410) is 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline.
What is the SMILES notation for 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline?
The canonical SMILES for 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline is C=C(Cc1ccccc1NCCC)C(Nc1cccc(C)c1)c1ccccc1.
What is the InChIKey of 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline?
The InChIKey is NTFKGNREFAQDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-4-17-27-25-16-9-8-14-23(25)19-21(3)26(22-12-6-5-7-13-22)28-24-15-10-11-20(2)18-24/h5-16,18,26-28H,3-4,17,19H2,1-2H3.
What are the key properties of 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline?
2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline has a molecular weight of 370.54 g/mol, XLogP of 6.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylanilino)-phenylmethyl]prop-2-enyl]-N-propylaniline is sourced from PubChem (CID 139374410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).