N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine

C14H23NO — CID 100555774

IUPACN-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
SMILESCCCOc1ccccc1[C@@H](C)NC(C)C
InChIInChI=1S/C14H23NO/c1-5-10-16-14-9-7-6-8-13(14)12(4)15-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyRFTFDWBYQZPYLC-GFCCVEGCSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds6

About N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine

N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine (PubChem CID 100555774) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
PubChem CID100555774
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
SMILESCCCOc1ccccc1[C@@H](C)NC(C)C
InChIInChI=1S/C14H23NO/c1-5-10-16-14-9-7-6-8-13(14)12(4)15-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyRFTFDWBYQZPYLC-GFCCVEGCSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
1-(2-propoxyphenyl)ethanol
CID 43503976
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
CID 104660894
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
2-(propan-2-ylamino)-4-(2-propoxyphenoxy)butan-1-ol
CID 64805286
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine (CID 100555774) is N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine is CCCOc1ccccc1[C@@H](C)NC(C)C.
What is the InChIKey of N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine?
The InChIKey is RFTFDWBYQZPYLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-10-16-14-9-7-6-8-13(14)12(4)15-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine?
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 100555774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).