(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine

C19H33N — CID 90210507

IUPAC(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
SMILESCC(C)Cc1cc(CCC[C@H](C)N)cc(C(C)(C)C)c1
InChIInChI=1S/C19H33N/c1-14(2)10-17-11-16(9-7-8-15(3)20)12-18(13-17)19(4,5)6/h11-15H,7-10,20H2,1-6H3/t15-/m0/s1
InChIKeyIMEHNKFQLVRFOL-HNNXBMFYSA-N
MW275.48 g/mol
LogP4.85
Rot. Bonds6

About (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine

(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine (PubChem CID 90210507) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
PubChem CID90210507
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
SMILESCC(C)Cc1cc(CCC[C@H](C)N)cc(C(C)(C)C)c1
InChIInChI=1S/C19H33N/c1-14(2)10-17-11-16(9-7-8-15(3)20)12-18(13-17)19(4,5)6/h11-15H,7-10,20H2,1-6H3/t15-/m0/s1
InChIKeyIMEHNKFQLVRFOL-HNNXBMFYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-5-[3-tert-butyl-5-(chloromethyl)phenyl]pentan-2-amine
CID 90210403
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058
5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
CID 123512509
1,5-dibutyl-3-tert-butylbenzene
CID 140589363
(2S)-5-(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)pentan-2-amine
CID 90210552
(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine
CID 90210492
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
1-tert-butyl-3,5-bis(3-chloropropyl)benzene
CID 89314999
4-[3-(1-aminoethyl)-5-tert-butylphenyl]butan-1-amine
CID 70645554
6-[3,5-bis(6-amino-2-methylheptan-2-yl)phenyl]-6-methylheptan-2-amine
CID 70151483
2-[3,5-bis(2-methylpropyl)phenyl]propan-2-yl carbamate
CID 66715109
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine?
The IUPAC name of (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine (CID 90210507) is (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine.
What is the SMILES notation for (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine?
The canonical SMILES for (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine is CC(C)Cc1cc(CCC[C@H](C)N)cc(C(C)(C)C)c1.
What is the InChIKey of (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine?
The InChIKey is IMEHNKFQLVRFOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H33N/c1-14(2)10-17-11-16(9-7-8-15(3)20)12-18(13-17)19(4,5)6/h11-15H,7-10,20H2,1-6H3/t15-/m0/s1.
What are the key properties of (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine?
(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine is sourced from PubChem (CID 90210507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).