N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline

C18H24N2 — CID 43687256

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2/c1-4-7-16-8-5-6-9-18(16)19-14-15-10-12-17(13-11-15)20(2)3/h5-6,8-13,19H,4,7,14H2,1-3H3
InChIKeyMMQXBVCNZOINLD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.32
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline

N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline (PubChem CID 43687256) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
PubChem CID43687256
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2/c1-4-7-16-8-5-6-9-18(16)19-14-15-10-12-17(13-11-15)20(2)3/h5-6,8-13,19H,4,7,14H2,1-3H3
InChIKeyMMQXBVCNZOINLD-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338
N-[[4-(dimethylamino)phenyl]methyl]-2-methylsulfonylaniline
CID 43232226
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62700857
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid
CID 110452209
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
4-[[2-[2-(dimethylamino)ethyl]anilino]methyl]benzoic acid
CID 122033254
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
N-(3-phenylpropyl)-2-propylaniline
CID 43687217

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline (CID 43687256) is N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline is CCCc1ccccc1NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline?
The InChIKey is MMQXBVCNZOINLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-7-16-8-5-6-9-18(16)19-14-15-10-12-17(13-11-15)20(2)3/h5-6,8-13,19H,4,7,14H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline?
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline is sourced from PubChem (CID 43687256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).