1-adamantyl-(4-chlorophenyl)methanamine

C17H22ClN — CID 43096295

IUPAC1-adamantyl-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22ClN/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16H,5-10,19H2
InChIKeyNNYVLABCKXRDOG-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.56
Rot. Bonds2

About 1-adamantyl-(4-chlorophenyl)methanamine

1-adamantyl-(4-chlorophenyl)methanamine (PubChem CID 43096295) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 1-adamantyl-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name1-adamantyl-(4-chlorophenyl)methanamine
PubChem CID43096295
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name1-adamantyl-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22ClN/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16H,5-10,19H2
InChIKeyNNYVLABCKXRDOG-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-chlorophenyl)methanamine?
The IUPAC name of 1-adamantyl-(4-chlorophenyl)methanamine (CID 43096295) is 1-adamantyl-(4-chlorophenyl)methanamine.
What is the SMILES notation for 1-adamantyl-(4-chlorophenyl)methanamine?
The canonical SMILES for 1-adamantyl-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-chlorophenyl)methanamine?
The InChIKey is NNYVLABCKXRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,16H,5-10,19H2.
What are the key properties of 1-adamantyl-(4-chlorophenyl)methanamine?
1-adamantyl-(4-chlorophenyl)methanamine has a molecular weight of 275.82 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-chlorophenyl)methanamine is sourced from PubChem (CID 43096295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).