(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine

C14H22N2O — CID 126644376

IUPAC(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@@H](N)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-11(2)16-8-13(15)14(9-16)17-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyNVRWESWGBRODJV-ZIAGYGMSSA-N
MW234.34 g/mol
LogP1.62
Rot. Bonds4

About (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine

(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 126644376) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine
PubChem CID126644376
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@@H](N)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-11(2)16-8-13(15)14(9-16)17-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyNVRWESWGBRODJV-ZIAGYGMSSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-phenylmethoxypyrrolidin-3-amine
CID 126645177
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
CID 65245145
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
tert-butyl (3S,4R)-4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 91478771
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
1-[1-(4-amino-1-propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]azepan-3-amine
CID 147864866
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine (CID 126644376) is (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1C[C@@H](N)[C@H](OCc2ccccc2)C1.
What is the InChIKey of (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is NVRWESWGBRODJV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16-8-13(15)14(9-16)17-10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,15H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine?
(3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-phenylmethoxy-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 126644376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).