1-(1-adamantyl)-2-phenylethanamine

C18H25N — CID 63416547

IUPAC1-(1-adamantyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N/c19-17(9-13-4-2-1-3-5-13)18-10-14-6-15(11-18)8-16(7-14)12-18/h1-5,14-17H,6-12,19H2
InChIKeyDKEUCALWXMZEBF-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.77
Rot. Bonds3

About 1-(1-adamantyl)-2-phenylethanamine

1-(1-adamantyl)-2-phenylethanamine (PubChem CID 63416547) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-phenylethanamine
PubChem CID63416547
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-(1-adamantyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N/c19-17(9-13-4-2-1-3-5-13)18-10-14-6-15(11-18)8-16(7-14)12-18/h1-5,14-17H,6-12,19H2
InChIKeyDKEUCALWXMZEBF-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1-adamantyl)-2-phenylethanamine 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

1-(1-adamantyl)-2-phenylsulfanylethanamine
CID 64619212
[1-adamantyl-[2-[1-adamantyl(phosphanyl)methyl]-4-(1-phenylpropan-2-yl)phenyl]methyl]phosphane
CID 174581436
(3S)-3-amino-1-(3-amino-1-adamantyl)-1-hydroxy-4-phenylbutan-2-one
CID 70568208
1-(1-amino-2-phenylethyl)cyclopentan-1-ol
CID 19702313
[1-adamantyl(phenyl)methyl]hydrazine
CID 105214386
1-(1-adamantyl)-2-(benzylamino)propan-1-ol
CID 3267642
(2S)-2-amino-3-phenylpropanoic acid;1-boratricyclo[3.3.1.13,7]decane
CID 10063306
1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
4-[2-amino-2-(3,5-dimethyl-1-adamantyl)ethyl]benzoic acid
CID 175040821
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
1-(1-adamantyl)-2-(4-fluorophenyl)ethanol
CID 63410783

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-phenylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-phenylethanamine (CID 63416547) is 1-(1-adamantyl)-2-phenylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-phenylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-phenylethanamine is NC(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-phenylethanamine?
The InChIKey is DKEUCALWXMZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c19-17(9-13-4-2-1-3-5-13)18-10-14-6-15(11-18)8-16(7-14)12-18/h1-5,14-17H,6-12,19H2.
What are the key properties of 1-(1-adamantyl)-2-phenylethanamine?
1-(1-adamantyl)-2-phenylethanamine has a molecular weight of 255.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-phenylethanamine is sourced from PubChem (CID 63416547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).