N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline

C19H26N2 — CID 105347417

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)Cc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C19H26N2/c1-4-16-7-11-19(12-8-16)21(3)14-17-5-9-18(10-6-17)15(2)13-20/h5-12,15H,4,13-14,20H2,1-3H3
InChIKeyYABVDKSQAFNANJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.95
Rot. Bonds6

About N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline (PubChem CID 105347417) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
PubChem CID105347417
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)Cc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C19H26N2/c1-4-16-7-11-19(12-8-16)21(3)14-17-5-9-18(10-6-17)15(2)13-20/h5-12,15H,4,13-14,20H2,1-3H3
InChIKeyYABVDKSQAFNANJ-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.95
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-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
CID 105347405
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105348027
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline (CID 105347417) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline is CCc1ccc(N(C)Cc2ccc(C(C)CN)cc2)cc1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline?
The InChIKey is YABVDKSQAFNANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-16-7-11-19(12-8-16)21(3)14-17-5-9-18(10-6-17)15(2)13-20/h5-12,15H,4,13-14,20H2,1-3H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline has a molecular weight of 282.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline is sourced from PubChem (CID 105347417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).