N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline

C19H26ClN — CID 43110752

IUPACN-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline
SMILESCc1ccc(NC(C)C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C19H26ClN/c1-12-3-4-17(8-18(12)20)21-13(2)19-9-14-5-15(10-19)7-16(6-14)11-19/h3-4,8,13-16,21H,5-7,9-11H2,1-2H3
InChIKeyICNBCVKTCFPDNH-UHFFFAOYSA-N
MW303.88 g/mol
LogP5.67
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline

N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline (PubChem CID 43110752) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline
PubChem CID43110752
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC NameN-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline
SMILESCc1ccc(NC(C)C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C19H26ClN/c1-12-3-4-17(8-18(12)20)21-13(2)19-9-14-5-15(10-19)7-16(6-14)11-19/h3-4,8,13-16,21H,5-7,9-11H2,1-2H3
InChIKeyICNBCVKTCFPDNH-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-adamantyl)ethyl]-3,4-difluoroaniline
CID 43111044
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533
N-[1-(1-adamantyl)ethyl]-2,6-dichloroaniline
CID 65468370
1-(1-adamantyl)-3-(3-chloro-4-methylanilino)propan-1-one
CID 51063471
N-[1-(1-adamantyl)ethyl]-2,3-dimethylaniline
CID 43099908
N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
CID 108509156
N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
CID 43690050
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
1-(3-chloro-4-methylphenyl)sulfanyladamantane
CID 164675709
3-chloro-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43757448
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline (CID 43110752) is N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline is Cc1ccc(NC(C)C23CC4CC(CC(C4)C2)C3)cc1Cl.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline?
The InChIKey is ICNBCVKTCFPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-12-3-4-17(8-18(12)20)21-13(2)19-9-14-5-15(10-19)7-16(6-14)11-19/h3-4,8,13-16,21H,5-7,9-11H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline?
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline has a molecular weight of 303.88 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylaniline is sourced from PubChem (CID 43110752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).