1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol

C18H29NO — CID 81393030

IUPAC1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
SMILESC[C@H](NCC(C)(O)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H29NO/c1-15(16-10-6-3-4-7-11-16)19-14-18(2,20)17-12-8-5-9-13-17/h5,8-9,12-13,15-16,19-20H,3-4,6-7,10-11,14H2,1-2H3/t15-,18?/m0/s1
InChIKeyWTWQDQDHPANTRW-BUSXIPJBSA-N
MW275.44 g/mol
LogP3.84
Rot. Bonds5

About 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol

1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol (PubChem CID 81393030) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
PubChem CID81393030
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
SMILESC[C@H](NCC(C)(O)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H29NO/c1-15(16-10-6-3-4-7-11-16)19-14-18(2,20)17-12-8-5-9-13-17/h5,8-9,12-13,15-16,19-20H,3-4,6-7,10-11,14H2,1-2H3/t15-,18?/m0/s1
InChIKeyWTWQDQDHPANTRW-BUSXIPJBSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 111755705
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
CID 63854628
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
4-(cyclohexylamino)-2-phenylbutan-2-ol
CID 12512269
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol (CID 81393030) is 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol is C[C@H](NCC(C)(O)c1ccccc1)C1CCCCCC1.
What is the InChIKey of 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol?
The InChIKey is WTWQDQDHPANTRW-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(16-10-6-3-4-7-11-16)19-14-18(2,20)17-12-8-5-9-13-17/h5,8-9,12-13,15-16,19-20H,3-4,6-7,10-11,14H2,1-2H3/t15-,18?/m0/s1.
What are the key properties of 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol?
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol has a molecular weight of 275.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 81393030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).