N-[(1S)-1-phenylethyl]adamantan-2-amine

C18H25N — CID 81350698

IUPACN-[(1S)-1-phenylethyl]adamantan-2-amine
SMILESC[C@H](NC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C18H25N/c1-12(15-5-3-2-4-6-15)19-18-16-8-13-7-14(10-16)11-17(18)9-13/h2-6,12-14,16-19H,7-11H2,1H3/t12-,13?,14?,16?,17?,18?/m0/s1
InChIKeyMKEAFIFVNVRPPL-IPQZGBMFSA-N
MW255.41 g/mol
LogP4.16
Rot. Bonds3

About N-[(1S)-1-phenylethyl]adamantan-2-amine

N-[(1S)-1-phenylethyl]adamantan-2-amine (PubChem CID 81350698) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]adamantan-2-amine
PubChem CID81350698
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-[(1S)-1-phenylethyl]adamantan-2-amine
SMILESC[C@H](NC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C18H25N/c1-12(15-5-3-2-4-6-15)19-18-16-8-13-7-14(10-16)11-17(18)9-13/h2-6,12-14,16-19H,7-11H2,1H3/t12-,13?,14?,16?,17?,18?/m0/s1
InChIKeyMKEAFIFVNVRPPL-IPQZGBMFSA-N
XLogP4.16
TPSA12.03 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylethyl)adamantan-2-amine
CID 43405877
N-[1-(4-chlorophenyl)ethyl]adamantan-2-amine
CID 43406773
2-[1-(2-adamantylamino)ethyl]phenol
CID 43720436
N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine
CID 43223961
(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
CID 7573924
N-[(1R)-1-pyridin-2-ylethyl]adamantan-2-amine
CID 81402373
(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
CID 134991731
N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81350353
N-[1-(5-methylfuran-2-yl)ethyl]adamantan-2-amine
CID 43224708
N-[1-(5-bromofuran-2-yl)ethyl]adamantan-2-amine
CID 104652520
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]adamantan-2-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]adamantan-2-amine (CID 81350698) is N-[(1S)-1-phenylethyl]adamantan-2-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]adamantan-2-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]adamantan-2-amine is C[C@H](NC1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]adamantan-2-amine?
The InChIKey is MKEAFIFVNVRPPL-IPQZGBMFSA-N. The full InChI is InChI=1S/C18H25N/c1-12(15-5-3-2-4-6-15)19-18-16-8-13-7-14(10-16)11-17(18)9-13/h2-6,12-14,16-19H,7-11H2,1H3/t12-,13?,14?,16?,17?,18?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]adamantan-2-amine?
N-[(1S)-1-phenylethyl]adamantan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]adamantan-2-amine is sourced from PubChem (CID 81350698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).