N-methyl-2-(3-phenylpropylideneamino)aniline

C16H18N2 — CID 91498875

IUPACN-methyl-2-(3-phenylpropylideneamino)aniline
SMILESCNc1ccccc1/N=C/CCc1ccccc1
InChIInChI=1S/C16H18N2/c1-17-15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-13,17H,7,10H2,1H3/b18-13+
InChIKeyRSVTUXGOHNWLKC-QGOAFFKASA-N
MW238.33 g/mol
LogP4.06
Rot. Bonds5

About N-methyl-2-(3-phenylpropylideneamino)aniline

N-methyl-2-(3-phenylpropylideneamino)aniline (PubChem CID 91498875) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpropylideneamino)aniline.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpropylideneamino)aniline
PubChem CID91498875
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-2-(3-phenylpropylideneamino)aniline
SMILESCNc1ccccc1/N=C/CCc1ccccc1
InChIInChI=1S/C16H18N2/c1-17-15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-13,17H,7,10H2,1H3/b18-13+
InChIKeyRSVTUXGOHNWLKC-QGOAFFKASA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
N-methoxy-3-phenylpropan-1-imine
CID 73200493
N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide
CID 122579435
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
N'-[2-(benzylamino)phenyl]methanimidamide;ethane;molecular hydrogen
CID 142239189
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
2,3,4,5,6-pentafluoro-N-[(Z)-3-phenylpropylideneamino]aniline
CID 9466517
pent-3-enylbenzene
CID 519421
2-(3-phenylpropylideneamino)guanidine
CID 5053229
2-[[2-(methylamino)phenyl]diazenyl]phenol
CID 136646465
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
4-chloropent-3-enylbenzene
CID 71383765

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpropylideneamino)aniline?
The IUPAC name of N-methyl-2-(3-phenylpropylideneamino)aniline (CID 91498875) is N-methyl-2-(3-phenylpropylideneamino)aniline.
What is the SMILES notation for N-methyl-2-(3-phenylpropylideneamino)aniline?
The canonical SMILES for N-methyl-2-(3-phenylpropylideneamino)aniline is CNc1ccccc1/N=C/CCc1ccccc1.
What is the InChIKey of N-methyl-2-(3-phenylpropylideneamino)aniline?
The InChIKey is RSVTUXGOHNWLKC-QGOAFFKASA-N. The full InChI is InChI=1S/C16H18N2/c1-17-15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-13,17H,7,10H2,1H3/b18-13+.
What are the key properties of N-methyl-2-(3-phenylpropylideneamino)aniline?
N-methyl-2-(3-phenylpropylideneamino)aniline has a molecular weight of 238.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpropylideneamino)aniline is sourced from PubChem (CID 91498875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).