(1R)-N-(2-adamantylmethyl)-1-phenylethanamine

C19H27N — CID 134991731

IUPAC(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C19H27N/c1-13(16-5-3-2-4-6-16)20-12-19-17-8-14-7-15(10-17)11-18(19)9-14/h2-6,13-15,17-20H,7-12H2,1H3/t13-,14?,15?,17?,18?,19?/m1/s1
InChIKeyCEFYBTNDLCVOIO-CSCXSELSSA-N
MW269.43 g/mol
LogP4.41
Rot. Bonds4

About (1R)-N-(2-adamantylmethyl)-1-phenylethanamine

(1R)-N-(2-adamantylmethyl)-1-phenylethanamine (PubChem CID 134991731) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (1R)-N-(2-adamantylmethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
PubChem CID134991731
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
SMILESC[C@@H](NCC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C19H27N/c1-13(16-5-3-2-4-6-16)20-12-19-17-8-14-7-15(10-17)11-18(19)9-14/h2-6,13-15,17-20H,7-12H2,1H3/t13-,14?,15?,17?,18?,19?/m1/s1
InChIKeyCEFYBTNDLCVOIO-CSCXSELSSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-adamantylmethyl)-1-phenylethanamine?
The IUPAC name of (1R)-N-(2-adamantylmethyl)-1-phenylethanamine (CID 134991731) is (1R)-N-(2-adamantylmethyl)-1-phenylethanamine.
What is the SMILES notation for (1R)-N-(2-adamantylmethyl)-1-phenylethanamine?
The canonical SMILES for (1R)-N-(2-adamantylmethyl)-1-phenylethanamine is C[C@@H](NCC1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of (1R)-N-(2-adamantylmethyl)-1-phenylethanamine?
The InChIKey is CEFYBTNDLCVOIO-CSCXSELSSA-N. The full InChI is InChI=1S/C19H27N/c1-13(16-5-3-2-4-6-16)20-12-19-17-8-14-7-15(10-17)11-18(19)9-14/h2-6,13-15,17-20H,7-12H2,1H3/t13-,14?,15?,17?,18?,19?/m1/s1.
What are the key properties of (1R)-N-(2-adamantylmethyl)-1-phenylethanamine?
(1R)-N-(2-adamantylmethyl)-1-phenylethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-adamantylmethyl)-1-phenylethanamine is sourced from PubChem (CID 134991731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).