(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

C16H23N3O3 — CID 38061791

IUPAC(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CN[C@H](C)Cn2ccnc2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3/c1-12(10-19-6-5-17-11-19)18-9-13-7-14(20-2)16(22-4)15(8-13)21-3/h5-8,11-12,18H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyKYCPBWJBDCLOBQ-GFCCVEGCSA-N
MW305.38 g/mol
LogP2.09
Rot. Bonds8

About (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 38061791) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID38061791
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CN[C@H](C)Cn2ccnc2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3/c1-12(10-19-6-5-17-11-19)18-9-13-7-14(20-2)16(22-4)15(8-13)21-3/h5-8,11-12,18H,9-10H2,1-4H3/t12-/m1/s1
InChIKeyKYCPBWJBDCLOBQ-GFCCVEGCSA-N
XLogP2.09
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
1-imidazol-1-yl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82893599
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534

Frequently Asked Questions

What is the IUPAC name of (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 38061791) is (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(CN[C@H](C)Cn2ccnc2)cc(OC)c1OC.
What is the InChIKey of (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is KYCPBWJBDCLOBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(10-19-6-5-17-11-19)18-9-13-7-14(20-2)16(22-4)15(8-13)21-3/h5-8,11-12,18H,9-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 38061791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).