4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline

C18H24N2 — CID 43188769

IUPAC4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
SMILESCC(N)c1ccc(N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H24N2/c1-14(2)20(13-16-7-5-4-6-8-16)18-11-9-17(10-12-18)15(3)19/h4-12,14-15H,13,19H2,1-3H3
InChIKeyYCACCTFDAOTNCV-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.12
Rot. Bonds5

About 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline

4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline (PubChem CID 43188769) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
PubChem CID43188769
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
SMILESCC(N)c1ccc(N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H24N2/c1-14(2)20(13-16-7-5-4-6-8-16)18-11-9-17(10-12-18)15(3)19/h4-12,14-15H,13,19H2,1-3H3
InChIKeyYCACCTFDAOTNCV-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.12
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

4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
1-(4-benzylphenyl)ethanamine
CID 3962419
6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine
CID 115939177
N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
CID 112985062
1-(N-benzylanilino)ethanol
CID 19010703
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
4-[benzyl(propan-2-yl)amino]-2-chlorobenzenecarbothioamide
CID 62947608
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
ethane;(1R)-1-phenylethanamine
CID 142977390
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline?
The IUPAC name of 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline (CID 43188769) is 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline is CC(N)c1ccc(N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline?
The InChIKey is YCACCTFDAOTNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)20(13-16-7-5-4-6-8-16)18-11-9-17(10-12-18)15(3)19/h4-12,14-15H,13,19H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline?
4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline is sourced from PubChem (CID 43188769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).