3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine

C25H26N2O — CID 90395406

IUPAC3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H26N2O/c26-23-15-25(21-9-5-4-8-20(21)23)27-24-14-22(24)18-10-12-19(13-11-18)28-16-17-6-2-1-3-7-17/h1-13,22-25,27H,14-16,26H2/t22-,23?,24+,25?/m1/s1
InChIKeyVQPAGQIHCBZNFI-FLDHPHKDSA-N
MW370.50 g/mol
LogP4.86
Rot. Bonds6

About 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine

3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 90395406) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID90395406
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H26N2O/c26-23-15-25(21-9-5-4-8-20(21)23)27-24-14-22(24)18-10-12-19(13-11-18)28-16-17-6-2-1-3-7-17/h1-13,22-25,27H,14-16,26H2/t22-,23?,24+,25?/m1/s1
InChIKeyVQPAGQIHCBZNFI-FLDHPHKDSA-N
XLogP4.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine (CID 90395406) is 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine is NC1CC(N[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is VQPAGQIHCBZNFI-FLDHPHKDSA-N. The full InChI is InChI=1S/C25H26N2O/c26-23-15-25(21-9-5-4-8-20(21)23)27-24-14-22(24)18-10-12-19(13-11-18)28-16-17-6-2-1-3-7-17/h1-13,22-25,27H,14-16,26H2/t22-,23?,24+,25?/m1/s1.
What are the key properties of 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 370.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 90395406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).