(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol

C14H21NO — CID 63955607

IUPAC(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CC1CC1)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H21NO/c1-3-15(10-12-8-9-12)14-7-5-4-6-13(14)11(2)16/h4-7,11-12,16H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyIDBUKXMEZMQIKN-NSHDSACASA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds5

About (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol

(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol (PubChem CID 63955607) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
PubChem CID63955607
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CC1CC1)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H21NO/c1-3-15(10-12-8-9-12)14-7-5-4-6-13(14)11(2)16/h4-7,11-12,16H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyIDBUKXMEZMQIKN-NSHDSACASA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
1-[4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63956428
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol (CID 63955607) is (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol is CCN(CC1CC1)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
The InChIKey is IDBUKXMEZMQIKN-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15(10-12-8-9-12)14-7-5-4-6-13(14)11(2)16/h4-7,11-12,16H,3,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol is sourced from PubChem (CID 63955607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).