N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine

C23H26N2O — CID 10521534

IUPACN-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine
SMILESC=C=CCN(C)C(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H26N2O/c1-4-5-13-25(3)18(2)14-21-15-20-16-22(11-12-23(20)24-21)26-17-19-9-7-6-8-10-19/h5-12,15-16,18,24H,1,13-14,17H2,2-3H3
InChIKeyUBELRSOGDORYKK-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.95
Rot. Bonds8

About N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine

N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine (PubChem CID 10521534) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine
PubChem CID10521534
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine
SMILESC=C=CCN(C)C(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C23H26N2O/c1-4-5-13-25(3)18(2)14-21-15-20-16-22(11-12-23(20)24-21)26-17-19-9-7-6-8-10-19/h5-12,15-16,18,24H,1,13-14,17H2,2-3H3
InChIKeyUBELRSOGDORYKK-UHFFFAOYSA-N
XLogP4.95
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
5-phenylmethoxy-2-propoxy-1H-indole
CID 151538403
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
CID 141043698
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
5-phenylmethoxy-2-pyridin-2-yl-1H-indole
CID 44556831
3-methoxy-2-(5-phenylmethoxy-1H-indol-2-yl)benzaldehyde
CID 139978114
5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
CID 54196890
2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]ethane-1,1-diol
CID 54369711

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine?
The IUPAC name of N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine (CID 10521534) is N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine.
What is the SMILES notation for N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine?
The canonical SMILES for N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine is C=C=CCN(C)C(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine?
The InChIKey is UBELRSOGDORYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-4-5-13-25(3)18(2)14-21-15-20-16-22(11-12-23(20)24-21)26-17-19-9-7-6-8-10-19/h5-12,15-16,18,24H,1,13-14,17H2,2-3H3.
What are the key properties of N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine?
N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine has a molecular weight of 346.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine is sourced from PubChem (CID 10521534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).